SCHEMBL2884882

SCHEMBL2884882

O=Cc1ccc2ncnc(NCc3ccccn3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 5/20 0.58
HPGD P15428 5/20 0.58
DYRK1A Q13627 1/20 0.56
EGFR P00533 5/20 0.51
ERBB2 P04626 1/20 0.48
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 3/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 2/20 0.43

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 0.84 LMNA (0.67) ALDH1A1KDM4EHPGDEGFRERBB2
SCHEMBL30395046 0.81 DYRK1A (0.62) ALDH1A1KDM4EHPGDDYRK1AEGFR
SCHEMBL29058417 0.81 DYRK1A (0.62) ALDH1A1KDM4EHPGDDYRK1AEGFR
SCHEMBL2882953 0.81 HPGD (0.54) ALDH1A1KDM4EHPGDDYRK1AEGFR
SCHEMBL2882955 0.81 HPGD (0.54) ALDH1A1KDM4EHPGDDYRK1AEGFR
SCHEMBL2880436 0.79 HTT (0.71) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL6364148 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDDYRK1AEGFR
SCHEMBL30395183 0.74 DYRK1A (0.60) ALDH1A1KDM4EHPGDDYRK1AEGFR
SCHEMBL29058415 0.74 DYRK1A (0.60) ALDH1A1KDM4EHPGDDYRK1AEGFR
SCHEMBL9973593 0.74 EGFR (0.65) ALDH1A1KDM4EDYRK1AEGFRERBB2

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 ALDH1A1 716/4885KDM4E 1961/4885HPGD 2011/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 ALDH1A1 1935/4885KDM4E 2031/4885HPGD 3176/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B ALDH1A1 678/4885KDM4E 2335/4885HPGD 2135/4885

“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.