SCHEMBL496966

SCHEMBL496966

CSc1cnc2cc(C=C3NC(=O)CS3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 19/20 0.45
PIK3CD O00329 1/20 0.38
NPC1 O15118 1/20 0.38
CSNK2A2 P19784 1/20 0.38
MAOB P27338 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
CLK1 P49759 1/20 0.38
RAB9A P51151 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL4636824 0.79 CLK1 (0.58) ADAMTS5PIK3CDNPC1CSNK2A2MAOB
SCHEMBL4441520 0.74 ADAMTS5 (0.46) ADAMTS5PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL5140356 0.72 PIK3CD (0.58) ADAMTS5PIK3CDNPC1CSNK2A2PIK3CA
SCHEMBL2883205 0.72 ADAMTS5 (0.47) ADAMTS5PIK3CDNPC1CSNK2A2MAOB
SCHEMBL4543477 0.71 ADAMTS5 (0.47) ADAMTS5
SCHEMBL28014404 0.64 ADAMTS5 (0.58) ADAMTS5
SCHEMBL17295490 0.64 ADAMTS5 (0.44) ADAMTS5NPC1CSNK2A2PIK3CAPIK3CG
SCHEMBL8580941 0.64 TP53 (0.45) ADAMTS5NPC1MAOBRAB9A
SCHEMBL11283138 0.63 HRH4 (0.48) NPC1PIK3CGRAB9ADYRK1A
SCHEMBL30670633 0.63 ALDH1A1 (0.44) NPC1PIK3CARAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106214-B2 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors MERCK SERONO SA (CH) 2012-01-31 US disclosed
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP disclosed
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-01-25 US disclosed
EP-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP disclosed
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 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 (1 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-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B ADAMTS5 2826/4885PIK3CD 38/4885NPC1 4841/4885

“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.