SCHEMBL2880436

SCHEMBL2880436

O=Cc1ccc2ncnc(NCc3cccnc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.71
RXFP1 Q9HBX9 1/20 0.71
CLK4 Q9HAZ1 14/20 0.68
CYP3A4 P08684 13/20 0.68
CYP2C19 P33261 13/20 0.68
CYP1A2 P05177 12/20 0.68
ALDH1A1 P00352 11/20 0.68
CYP2D6 P10635 11/20 0.68
HSD17B10 Q99714 10/20 0.68
HPGD P15428 5/20 0.68
KDM4E B2RXH2 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
TDP1 Q9NUW8 1/20 0.68
USP2 O75604 7/20 0.61
MAPK1 P28482 6/20 0.61
HIF1A Q16665 6/20 0.61
LMNA P02545 6/20 0.61
CYP2C9 P11712 5/20 0.61
TSHR P16473 4/20 0.61

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
SCHEMBL2884910 0.87 LMNA (0.67) HTTCLK4CYP3A4CYP2C19CYP1A2
SCHEMBL11887799 0.83 HTT (1.00) HTTRXFP1CLK4CYP3A4CYP2C19
SCHEMBL2882489 0.82 HTT (0.59) HTTRXFP1CLK4CYP3A4CYP2C19
SCHEMBL2882487 0.82 HTT (0.59) HTTRXFP1CLK4CYP3A4CYP2C19
SCHEMBL2884882 0.79 ALDH1A1 (0.58) HTTRXFP1CLK4CYP3A4CYP2C19
SCHEMBL1674992 0.76 CLK4 (1.00) HTTRXFP1CLK4CYP3A4CYP2C19
SCHEMBL30301815 0.75 CLK4 (1.00) CLK4CYP3A4CYP2C19CYP1A2ALDH1A1
SCHEMBL26174572 0.74 DYRK1A (0.85) HTTRXFP1CLK4CYP3A4CYP2C19
SCHEMBL30400591 0.74 DYRK1A (0.85) HTTRXFP1CLK4CYP3A4CYP2C19
SCHEMBL21381213 0.74 HDAC3 (0.61) CYP2C19CYP1A2ALDH1A1CYP2D6

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 6 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
CN-1681811-B Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS 2010-05-26 CN disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
CN-1681811-A Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-10-12 CN 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 (3 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 HTT 1649/4885RXFP1 1385/4885CLK4 3930/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 HTT 3887/4885RXFP1 2965/4885CLK4 1537/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HTT 1583/4885RXFP1 1277/4885CLK4 3861/4885

“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.