SCHEMBL1373046

SCHEMBL1373046

COC(=O)c1cccc(CN2CCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.67
CYP2C9 P11712 2/20 0.67
HIF1A Q16665 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.59
CYP4F2 P78329 2/20 0.57
CYP4A11 Q02928 2/20 0.57
CHRM3 P20309 1/20 0.57
CHKA P35790 1/20 0.52
ABHD6 Q9BV23 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL12563565 0.99 CYP2D6 (0.69) CYP2D6CYP2C9HIF1ASMN1; SMN2MEN1
SCHEMBL20209837 0.97 CYP2D6 (0.62) CYP2D6CYP2C9HIF1ASMN1; SMN2MEN1
SCHEMBL13150524 0.90 MEN1 (0.56) CYP2D6CYP2C9HIF1ASMN1; SMN2MEN1
SCHEMBL10145077 0.89 ALDH1A1 (0.60) CYP2D6CYP2C9HIF1ASMN1; SMN2MEN1
SCHEMBL2002699 0.89 MEN1 (0.57) CYP2D6CYP2C9HIF1ASMN1; SMN2MEN1
SCHEMBL31721209 0.89 ALDH1A1 (0.60) CYP2D6CYP2C9HIF1ASMN1; SMN2MEN1
SCHEMBL6733775 0.88 HIF1A (0.57) CYP2D6CYP2C9HIF1ASMN1; SMN2MEN1
SCHEMBL1512308 0.87 CHRM3 (0.72) SMN1; SMN2MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL30512200 0.87 ALDH1A1 (0.62) SMN1; SMN2MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL1013481 0.87 ALDH1A1 (0.62) SMN1; SMN2MEN1ALDH1A1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
EP-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 EP disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
WO-2021148805-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2021-07-29 WO disclosed
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-03-02 US disclosed
EP-3623372-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS Forma Therapeutics, Inc. (US) 2020-03-18 EP disclosed
WO-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 WO disclosed
CN-107406451-B Pyrrolopyrimidines and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors 福马治疗股份有限公司 2019-12-17 CN disclosed
EP-3240791-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 EP disclosed
US-10377760-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-13 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 US disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP 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 (6 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-10377760-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 CYP2D6 2061/4885CYP2C9 2518/4885HIF1A 2482/4885
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 CYP2D6 1846/4885CYP2C9 2466/4885HIF1A 2602/4885
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 CYP2D6 1846/4885CYP2C9 2466/4885HIF1A 2602/4885
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 CYP2D6 2006/4885CYP2C9 1793/4885HIF1A 2664/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 CYP2D6 2783/4885CYP2C9 2747/4885HIF1A 1097/4885
US-10934299-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 CYP2D6 1846/4885CYP2C9 2466/4885HIF1A 2602/4885

“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.