SCHEMBL2877353

SCHEMBL2877353

O=Cc1ccc2ncnc(N3CCOCC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.59
CLK4 Q9HAZ1 8/20 0.57
CYP3A4 P08684 8/20 0.57
MAPK1 P28482 7/20 0.57
HIF1A Q16665 7/20 0.57
LMNA P02545 7/20 0.57
CYP1A2 P05177 7/20 0.57
ALDH1A1 P00352 5/20 0.57
TSHR P16473 5/20 0.55
CYP2C19 P33261 5/20 0.55
CYP2D6 P10635 3/20 0.54
HSD17B10 Q99714 2/20 0.54
PDE10A Q9Y233 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 2/20 0.53
PRKDC P78527 2/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 1/20 0.52
ALDH3A1 P30838 1/20 0.49

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
SCHEMBL4147879 0.86 PTK2 (0.59) PTK2CLK4CYP3A4MAPK1HIF1A
SCHEMBL2882279 0.86 PRKDC (0.47) LMNAALDH1A1TSHRPRKDCALOX15
SCHEMBL2882262 0.84 HTT (0.65) CLK4CYP3A4MAPK1HIF1ALMNA
SCHEMBL2882868 0.83 KIT (0.48) CLK4CYP3A4MAPK1HIF1ALMNA
SCHEMBL2880253 0.82 HTT (0.60) CLK4LMNACYP1A2ALDH1A1TSHR
SCHEMBL2882078 0.82 ENPP1 (0.48) CLK4CYP3A4HIF1ALMNACYP1A2
SCHEMBL2882471 0.79 MEN1 (0.53) PTK2CLK4CYP3A4MAPK1HIF1A
SCHEMBL2882472 0.79 MEN1 (0.53) PTK2CLK4CYP3A4MAPK1HIF1A
SCHEMBL4752516 0.79 SMN1; SMN2 (0.55) MAPK1ALDH1A1PDE10AMEN1KMT2A
SCHEMBL3117120 0.79 HTT (0.70) PTK2CLK4CYP3A4MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090082349-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-03-26 US disclosed
EP-1996191-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-12-03 EP disclosed
US-20080261974-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 US disclosed
EP-1940812-A2 NOVEL CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007103759-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
WO-2007038331-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX PTK2 175/4885CLK4 3930/4885CYP3A4 444/4885
US-20080261974-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 PTK2 255/4885CLK4 1506/4885CYP3A4 4844/4885
US-20090082349-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA PTK2 45/4885CLK4 2615/4885CYP3A4 1388/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 PTK2 122/4885CLK4 1537/4885CYP3A4 3896/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B PTK2 187/4885CLK4 3861/4885CYP3A4 476/4885

“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.