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 — —
SCHEMBL1131654 0.70 — —
SCHEMBL104599 0.70 — —
SCHEMBL12453679 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.

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