SCHEMBL200799

SCHEMBL200799

COC(=C(C#N)C#N)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PARP10 Q53GL7 1/20 0.43
HPGD P15428 2/20 0.42
SRD5A2 P31213 2/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MAPK14 Q16539 1/20 0.41
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
MMP1 P03956 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL15669384 0.87 AKR1C3 (0.51) SMN1; SMN2PARP10HPGDERCC5FEN1
SCHEMBL22071794 0.87 MMP13 (0.47) SMN1; SMN2HPGDMAPK14MEN1KMT2A
SCHEMBL3938851 0.86 ALDH1A1 (0.48) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL15670226 0.85 ALDH1A1 (0.43) SMN1; SMN2HPGDMAPK14MMP1MEN1
SCHEMBL15613586 0.84 MAOB (0.49) LTA4HSMN1; SMN2PARP10HPGDMEN1
SCHEMBL14643731 0.84 NPC1 (0.41) PARP10HPGDMEN1KMT2AALDH1A1
SCHEMBL15613594 0.83 MAOB (0.50) SRD5A2MEN1KMT2A
SCHEMBL18173604 0.83 LTA4H (0.46) LTA4HSMN1; SMN2PARP10HPGDSRD5A2
SCHEMBL17407842 0.80 LTA4H (0.54) LTA4HSMN1; SMN2PARP10HPGDSRD5A2
SCHEMBL2475097 0.80 MAOB (0.54) SMN1; SMN2PARP10SRD5A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016170545-A1 PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO claimed
US-20250340560-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BEIGENE SWITZERLAND GMBH (CH) 2025-11-06 US disclosed
CN-119504592-A Synthesis method of 3-amino-5- (4-phenoxyphenyl) -4-cyano-1H-pyrazole 深圳智微通科技有限公司 2025-02-25 CN disclosed
US-20240358707-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2024-10-31 US disclosed
US-20240317756-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2024-09-26 US disclosed
US-20240254128-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BEIGENE SWITZERLAND GMBH (CH) 2024-08-01 US disclosed
US-20240216380-A1 BTK Inhibitors to Treat Solid Tumors Through Modulation of the Tumor Microenvironment ACERTA PHARMA BV (NL) 2024-07-04 US disclosed
US-20240197742-A1 Therapeutic Combinations of a CD19 Inhibitor and a BTK Inhibitor ACERTA PHARMA BV (NL) 2024-06-20 US disclosed
CN-113968842-B Ibutinib intermediate compound 鲁南制药集团股份有限公司 2024-05-03 CN disclosed
CN-117623982-A Synthesis method of ibrutinib key intermediate 南京亿华药业有限公司 2024-03-01 CN 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-20240254128-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BTK, LCK, SYK LTA4H 2846/4885SMN1; SMN2 4780/4885PARP10 1398/4885
US-20240358707-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN LTA4H 1313/4885SMN1; SMN2 4262/4885PARP10 655/4885
US-20240216380-A1 BTK Inhibitors to Treat Solid Tumors Through Modulation of the Tumor Microenvironment BTK, LYN, SYK LTA4H 1058/4885SMN1; SMN2 4370/4885PARP10 1884/4885
US-20240317756-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LTA4H 4435/4885SMN1; SMN2 3147/4885PARP10 591/4885
US-20240197742-A1 Therapeutic Combinations of a CD19 Inhibitor and a BTK Inhibitor BTK, CD274, BCL9 LTA4H 4321/4885SMN1; SMN2 2766/4885PARP10 1883/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LTA4H 3535/4885SMN1; SMN2 1992/4885PARP10 1089/4885
US-20250340560-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BTK, LCK, SYK LTA4H 2846/4885SMN1; SMN2 4780/4885PARP10 1398/4885

“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.