SCHEMBL6672265

SCHEMBL6672265

CC(C)(C)c1ccncc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.39
SLC22A12 Q96S37 5/20 0.35
SLC22A6 Q4U2R8 2/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
LATS1 O95835 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CYP19A1 P11511 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GABRA1 P14867 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30947612 0.85 HTT (0.40) HTTKMT2AMEN1NCOA3SLC22A12
SCHEMBL20865393 0.84 KMT2A (0.44) HTTKMT2AMEN1NCOA3SLC22A12
SCHEMBL31240804 0.80 HTT (0.42) HTTKMT2AMEN1NCOA3
SCHEMBL507128 0.80 HTT (0.42) HTTKMT2AMEN1NCOA3
SCHEMBL22043054 0.79 HTT (0.36) HTTKMT2AMEN1NCOA3SLC22A12
Hydrochloric Acid SCHEMBL4572873 0.78 HTT (0.41) HTTKMT2AMEN1NCOA3
SCHEMBL22096851 0.74 CA2 (0.39) KMT2AMEN1SLC22A12ALDH1A1SMN1; SMN2
SCHEMBL179312 0.74 TSHR (0.50) HTTSLC22A12ALDH1A1
SCHEMBL1705592 0.73 KIF11 (0.39) LATS1ALDH1A1CYP19A1
SCHEMBL20043 0.73 HTT (0.50) HTTKMT2AMEN1NCOA3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-11014933-B2 Non-peptide opioid receptor modulators VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-05-25 US disclosed
US-20200216458-A1 NON-PEPTIDE OPIOID RECEPTOR MODULATORS VIRGINIA COMMONWEALTH UNIVERSITY 2020-07-09 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-8580828-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-11-12 US disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 US disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 HTT 960/4885KMT2A 473/4885MEN1 1890/4885
US-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 HTT 2890/4885KMT2A 4237/4885MEN1 1374/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 HTT 2840/4885KMT2A 1903/4885MEN1 1439/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK HTT 432/4885KMT2A 1335/4885MEN1 511/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 HTT 3881/4885KMT2A 2634/4885MEN1 2823/4885
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 HTT 3710/4885KMT2A 1813/4885MEN1 1402/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK HTT 432/4885KMT2A 1335/4885MEN1 511/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 HTT 2840/4885KMT2A 1903/4885MEN1 1439/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 HTT 960/4885KMT2A 473/4885MEN1 1890/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HTT 3196/4885KMT2A 4191/4885MEN1 4860/4885
US-11014933-B2 Non-peptide opioid receptor modulators OPRM1, OPRL1, OPRK1 HTT 1588/4885KMT2A 3425/4885MEN1 4787/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA HTT 3403/4885KMT2A 3464/4885MEN1 1685/4885
US-20200216458-A1 NON-PEPTIDE OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 HTT 1588/4885KMT2A 3425/4885MEN1 4787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.