SCHEMBL807737

SCHEMBL807737

CN1CCN(c2cc(N)ncn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 9/20 0.59
▸ HRH3 Q9Y5N1 3/20 0.59
▸ CYP1A2 P05177 5/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HRH2 P25021 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49

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
SCHEMBL24319168 0.86 HRH4 (0.65) HRH4HRH3CYP1A2ALDH1A1HSD17B10
SCHEMBL19004851 0.82 AKT1 (0.47) HRH4CYP2C19TSHRMAP4K4
SCHEMBL807296 0.82 SMN1; SMN2 (0.50) HRH4TSHRMAP4K4
SCHEMBL30579439 0.82 SMN1; SMN2 (0.50) HRH4TSHRMAP4K4
SCHEMBL4953660 0.81 HRH4 (0.55) HRH4HRH3CYP1A2ALDH1A1HSD17B10
SCHEMBL5889085 0.81 SMN1; SMN2 (0.53) HRH4CYP1A2ALDH1A1TSHRMAP4K4
SCHEMBL1775874 0.81 HRH4 (0.64) HRH4HRH3CYP1A2ALDH1A1HSD17B10
SCHEMBL2075583 0.81 LRRK2 (0.46) HRH4HRH3ALDH1A1KDM4EMAPT
SCHEMBL2075530 0.81 KIT (0.48) HRH3ALDH1A1KDM4EMAPT
SCHEMBL6803952 0.80 KDR (0.51) HRH4ALOX15TSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 — — CN disclosed
US-11612604-B2 Methods of treating cancer with PLK4 inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2023-03-28 — — US disclosed
CN-111269215-B Nitrogen-containing heterocyclic organic compound and preparation method and application thereof 中科利健制药(广州)有限公司 2021-10-26 — — CN disclosed
CN-111269215-A Nitrogen-containing heterocyclic organic compound and preparation method and application thereof 中科利健制药(广州)有限公司 2020-06-12 — — CN disclosed
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 — — EP disclosed
CN-105418592-A Substituted pyrimidine compounds and application thereof UNIV EAST CHINA SCIENCE & TECH 2016-03-23 — — CN disclosed
WO-2015091584-A1 THIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS TYK2 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 — — WO disclosed
WO-2013041539-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 — — WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 — — WO disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 — — WO disclosed
US-20100280012-A1 AZAAZULENE COMPOUNDS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-11-04 — — US disclosed
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 — — US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 — — US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 — — EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 — — US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 — — 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 (4 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-11612604-B2 Methods of treating cancer with PLK4 inhibitors PLK4, PLK2, PLK3 HRH4 4689/4885HRH3 4350/4885CYP1A2 4600/4885
US-20100280012-A1 AZAAZULENE COMPOUNDS AZI2, CYP51A1, CYP3A5 HRH4 2554/4885HRH3 3772/4885CYP1A2 34/4885
US-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 HRH4 4015/4885HRH3 3514/4885CYP1A2 4812/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 HRH4 4015/4885HRH3 3514/4885CYP1A2 4812/4885

“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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