SCHEMBL510089

SCHEMBL510089

CC(C)(C)OC(=O)NCc1cncc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.51
▸ NAMPT P43490 2/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HCAR2 Q8TDS4 4/20 0.41
▸ KDM4A O75164 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL18019821 0.88 DYRK1A (0.50) DYRK1ANAMPTCYP3A4L3MBTL1HDAC1
SCHEMBL16881041 0.84 NAMPT (0.43) DYRK1ANAMPTCYP3A4HDAC1KDM4E
SCHEMBL509278 0.84 CYP2C19 (0.51) DYRK1ANAMPTCYP3A4L3MBTL1CYP2C9
SCHEMBL15861836 0.84 HDAC1 (0.46) NAMPTL3MBTL1HDAC1KDM4AMEN1
SCHEMBL16147999 0.84 HDAC1 (0.46) DYRK1ANAMPTL3MBTL1HDAC1KDM4A
SCHEMBL24139848 0.83 DYRK1A (0.50) DYRK1ANAMPTCYP3A4L3MBTL1HDAC1
SCHEMBL16020299 0.83 DYRK1A (0.50) DYRK1ANAMPTCYP3A4L3MBTL1CYP2C9
SCHEMBL10264054 0.82 DYRK1A (0.49) DYRK1ANAMPTCYP3A4L3MBTL1CYP2C9
SCHEMBL18041429 0.82 DYRK1A (0.49) DYRK1ANAMPTCYP3A4L3MBTL1HDAC1
SCHEMBL13999418 0.82 DYRK1A (0.49) DYRK1ANAMPTCYP3A4L3MBTL1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3447058-B1 NOVEL BROAD-SPECTRUM BETA-LACTAMASE INHIBITOR WUHAN VISION PHARMACEUTICAL TECH CO LTD (CN) 2023-10-11 — — EP disclosed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 — — EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 — — US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 — — US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 — — US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 — — US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 — — US disclosed
US-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 — — US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 — — US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 — — US disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 — — US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 — — EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 — — EP disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 — — EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 — — EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 — — US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 — — US disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 — — WO disclosed
CN-1514828-A Pyrazole derivatives for treating HIV — 2004-07-21 — — CN disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 — — US 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 (5 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 DYRK1A 4206/4885NAMPT 1719/4885CYP3A4 69/4885
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK DYRK1A 926/4885NAMPT 659/4885CYP3A4 1757/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 DYRK1A 4282/4885NAMPT 2072/4885CYP3A4 55/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD DYRK1A 4565/4885NAMPT 1460/4885CYP3A4 62/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 DYRK1A 4670/4885NAMPT 2046/4885CYP3A4 47/4885

“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.

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