SCHEMBL2882073

SCHEMBL2882073

O=Cc1ccc2ncnc(-c3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.57
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 3/20 0.52
POLB P06746 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
MTOR P42345 1/20 0.51
PIK3CG P48736 1/20 0.51
IP6K1 Q92551 2/20 0.50
MAP4K4 O95819 1/20 0.43
CAMKK1 Q8N5S9 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
JAK2 O60674 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 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
SCHEMBL4194980 0.80 ERN1 (0.38) ADORA2AKDM4EALDH1A1MEN1POLB
SCHEMBL28054982 0.78 PIK3CA (0.70) ADORA2APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL4201167 0.77 ERN1 (0.40) ADORA2AKDM4EALDH1A1MEN1POLB
SCHEMBL28872927 0.76 ADORA2A (0.62) ADORA2AKDM4EALDH1A1MEN1POLB
SCHEMBL28872939 0.76 SMN1; SMN2 (0.63) ADORA2AALDH1A1MEN1POLBKMT2A
SCHEMBL27939556 0.76 ADORA2A (0.62) ADORA2AKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL13585391 0.76 ADORA2A (0.62) ADORA2AKDM4EALDH1A1MEN1KMT2A
SCHEMBL15712193 0.76 ADORA2A (0.62) ADORA2AMEN1KMT2APIK3CDPIK3CA
SCHEMBL10718258 0.76 ADORA2A (0.62) ADORA2AKDM4EALDH1A1POLBKMT2A
SCHEMBL12975452 0.76 PIM1 (0.56) MEN1KMT2ANPC1PIK3CDPIK3CA

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 ADORA2A 1754/4885KDM4E 1961/4885ALDH1A1 716/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 ADORA2A 1910/4885KDM4E 2031/4885ALDH1A1 1935/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B ADORA2A 1531/4885KDM4E 2335/4885ALDH1A1 678/4885

“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.