SCHEMBL3538398

SCHEMBL3538398

CSC1=C2C=NC=C[N+]2(N)C(c2cccc(OCc3ccccc3)c2)=N1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
NR1H2 P55055 1/20 0.36
IGF1R P08069 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
BRD4 O60885 1/20 0.35
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL3538747 0.87 MAOB (0.38) MAOBF9F10NR1H2MRGPRX4
SCHEMBL2460398 0.85 MAOB (0.41) MAOBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2457017 0.85 MAOB (0.39) MAOBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3537072 0.85 MAOB (0.40) MAOBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3535621 0.84 MAOB (0.38) MAOBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2457734 0.84 NR1H2 (0.41) MAOBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2458332 0.83 NR1H2 (0.39) MAOBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2460148 0.81 CFD (0.42) MAOBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3537676 0.81 MRGPRX4 (0.42) MAOBMRGPRX4DHODH
SCHEMBL2462894 0.80 ALOX5 (0.41) MAOBPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957496-B1 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2012-10-24 EP disclosed
US-7648987-B2 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-01-19 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 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 (1 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-20070149521-A1 Bicyclic protein kinase inhibitors CDK1, MAP4K2, MAP4K3 MAOB 3012/4885PIK3CD 583/4885PIK3CA 330/4885

“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.