SCHEMBL2882274

SCHEMBL2882274

CNc1ncnc2ccc(C=O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.50
CYP3A4 P08684 7/20 0.50
CYP2D6 P10635 6/20 0.50
CYP2C19 P33261 6/20 0.50
CLK4 Q9HAZ1 5/20 0.50
TSHR P16473 1/20 0.50
MAP4K4 O95819 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 4/20 0.48
LMNA P02545 4/20 0.48
USP2 O75604 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
IRAK4 Q9NWZ3 2/20 0.42
HTT P42858 3/20 0.42
EGFR P00533 4/20 0.42

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
SCHEMBL4183703 0.84 MAP4K4 (0.66) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL9973593 0.79 EGFR (0.65) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL26315417 0.78 ALDH1A1 (0.48) CYP1A2CYP2C19CLK4TSHRALDH1A1
SCHEMBL2622070 0.78 IRAK4 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL2622072 0.76 HTT (0.68) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL8297788 0.76 HTT (0.64) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL2884910 0.76 LMNA (0.67) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL2877560 0.75 CISD1 (0.56) HPGDHTT
SCHEMBL2877564 0.75 CISD1 (0.56) HPGDHTT
SCHEMBL12975471 0.75 CISD1 (0.56) HPGDHTT

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 14 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-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US 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
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 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 (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 CYP1A2 651/4885CYP3A4 444/4885CYP2D6 1864/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 CYP1A2 3293/4885CYP3A4 3896/4885CYP2D6 4728/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B CYP1A2 620/4885CYP3A4 476/4885CYP2D6 1976/4885

“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.