SCHEMBL5801922

SCHEMBL5801922

CC1(C)OB(c2ccc(Oc3ccc(C#N)cc3)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
LPL P06858 12/20 0.45
LIPG Q9Y5X9 12/20 0.45
ESR2 Q92731 1/20 0.44
CYP19A1 P11511 1/20 0.44
CHRM1 P11229 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
PDE1A P54750 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE3A Q14432 1/20 0.43
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL476909 0.90 LPL (0.53) CA1CA2CA9LPLLIPG
SCHEMBL5243207 0.86 CA1 (0.61) CA1CA2CA9LPLLIPG
SCHEMBL5802234 0.86 PDE4A (0.49) CA1CA2CA9LPLLIPG
SCHEMBL15301292 0.85 LIPG (0.62) CA1CA2CA9LPLLIPG
SCHEMBL22652888 0.85 LIPG (0.62) CA1CA2CA9LPLLIPG
SCHEMBL15496904 0.85 LIPG (0.62) CA1CA2CA9LPLLIPG
SCHEMBL30571359 0.84 DGAT1 (0.53) CA1CA2CA9LPLLIPG
SCHEMBL15803116 0.81 LPL (0.46) CA1CA2CA9LPLLIPG
SCHEMBL14785793 0.80 CA1 (0.51) CA1CA2CA9LPLLIPG
SCHEMBL23030124 0.80 PDE4B (0.49) CYP19A1CHRM1PDE4AADRA1APDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059176-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2025-02-20 US disclosed
US-12162873-B2 Substituted nicotinimide inhibitors of BTK for treating cancer GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2024-12-10 US disclosed
US-20240101545-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2024-03-28 US disclosed
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer Guangzhou Innocare Pharma Tech Co., Ltd (CN) 2023-12-12 US disclosed
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer Guangzhou Innocare Pharma Tech Co., Ltd (CN) 2023-12-12 US disclosed
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer Guangzhou Innocare Pharma Tech Co., Ltd (CN) 2023-12-12 US disclosed
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
US-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2022-09-22 US disclosed
US-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) 2022-09-22 US disclosed
EP-4056562-A1 HETEROCYCLIC INHIBITORS OF BRUTON'S TYROSINE KINASE Merck Patent GmbH (DE) 2022-09-14 EP disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 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 (7 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-20220298153-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN CA1 4413/4885CA2 2847/4885CA9 3257/4885
US-20250059176-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN CA1 4413/4885CA2 2847/4885CA9 3257/4885
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC CA1 4767/4885CA2 4674/4885CA9 1494/4885
US-20240101545-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK FOR TREATING CANCER BTK, SYK, LYN CA1 4413/4885CA2 2847/4885CA9 3257/4885
US-12162873-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN CA1 4413/4885CA2 2847/4885CA9 3257/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 CA1 4551/4885CA2 3108/4885CA9 3929/4885
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN CA1 4413/4885CA2 2847/4885CA9 3257/4885

“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.