SCHEMBL309322

SCHEMBL309322

CSc1nccc([Sn](C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36
ALOX15 P16050 1/20 0.36
PARP1 P09874 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
KDM4E B2RXH2 4/20 0.33

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
SCHEMBL181124 0.74 TLR8 (0.34) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL148439 0.73
SCHEMBL29987888 0.73
SCHEMBL16877109 0.72 GAA (0.33) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL5576942 0.71 ALDH1A1 (0.44) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL12636463 0.71 PARP1 (0.47) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL164463 0.70
SCHEMBL12892255 0.70
SCHEMBL1131654 0.70
SCHEMBL29693610 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111356687-B Pyrimidine-containing tri-substituted imidazole compound and application thereof 广州必贝特医药技术有限公司 2021-03-30 CN disclosed
WO-2020192302-A1 PYRIMIDINE-CONTAINING TRI-SUBSTITUTED IMIDAZOLE COMPOUND AND APPLICATION THEREOF 广州必贝特医药技术有限公司 2020-10-01 WO disclosed
CN-111356687-A Pyrimidine-containing tri-substituted imidazole compound and application thereof 广州必贝特医药技术有限公司 2020-06-30 CN disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
EP-2114887-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS Cancer Research Technology Limited (GB) 2009-11-11 EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
EP-1423384-B1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2007-05-23 EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-25 US disclosed
EP-1423384-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-02 EP disclosed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 US disclosed
EP-1307454-A1 DERIVATIVES OF VARIOLIN B Universidad de Barcelona (ES) 2003-05-07 EP disclosed
WO-2003022840-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-03-20 WO disclosed
WO-2002012240-A1 DERIVATIVES OF VARIOLIN B UNIVERSIDAD DE BARCELONA (ES) 2002-02-14 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 (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-20040235843-A1 Pyridine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF LMNA 2104/4885ALDH1A1 2937/4885GAA 3926/4885
US-20080033001-A1 Derivatives of Variolin B ARG2, SDHB, OAT LMNA 2521/4885ALDH1A1 1460/4885GAA 4321/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP LMNA 2548/4885ALDH1A1 1470/4885GAA 4183/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 LMNA 3402/4885ALDH1A1 742/4885GAA 4594/4885
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS PKD2, PKD1, BAZ2B LMNA 1627/4885ALDH1A1 4032/4885GAA 3223/4885

“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.