SCHEMBL9300537

SCHEMBL9300537

COc1nc(N)c(N)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
S100B P04271 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9301495 0.78 CDK2 (0.46) MEN1KMT2AKDM4E
SCHEMBL301366 0.74 KDM4E (0.46) MEN1KMT2AKDM4E
SCHEMBL9663306 0.73 S100B (0.32) S100BKDM4E
SCHEMBL9303572 0.71 CYP3A4 (0.37) KDM4E
SCHEMBL11679077 0.68 CSNK2A2 (0.35) KMT2AKDM4E
SCHEMBL8720564 0.68 RXFP1 (0.44) MEN1KMT2AKDM4E
SCHEMBL28456121 0.65 KMT2A (0.60) MEN1KMT2ANCOA1NCOA3
SCHEMBL19579598 0.63 ADORA2A (0.33)
SCHEMBL17025973 0.63 CHRNB2 (0.46) KDM4E
SCHEMBL4287126 0.63 KDM5B (0.42) MEN1KMT2ANCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133718-A1 AN EFFICIENT PROCESS FOR THE SYNTHESIS OF PARAXANTHINE FERTIS INDIA PVT. LTD. (IN) 2025-06-26 WO disclosed
US-5314890-A Treatment of asthma MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 1994-05-24 US disclosed
EP-0531349-A1 1-7 SUBSTITUTED XANTHINE DERIVATIVES HAVING ANTIASTHMATIC ACTIVITY, THEIR SALTS PHYSIOLOGICALLY ACCEPTABLE, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 1993-03-17 EP disclosed
WO-1991017993-A1 1-7 SUBSTITUTED XANTHINE DERIVATIVES HAVING ANTIASTHMATIC ACTIVITY, THEIR SALTS PHYSIOLOGICALLY ACCEPTABLE, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A (IT) 1991-11-28 WO disclosed