SCHEMBL3537676

SCHEMBL3537676

NC(=O)C1=C2C=NC=C[N+]2(N)C(c2cccc(OCc3ccccc3)c2)=N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
DHODH Q02127 5/20 0.41
NR4A2 P43354 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SPHK2 Q9NRA0 3/20 0.40
SPHK1 Q9NYA1 1/20 0.40
MAOB P27338 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PARP10 Q53GL7 1/20 0.39
BTK Q06187 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL2460199 0.86 PARP10 (0.45) MRGPRX4DHODHNR4A2SIRT2SPHK2
SCHEMBL2459477 0.86 MRGPRX4 (0.43) MRGPRX4DHODHNR4A2SIRT2SPHK2
SCHEMBL3537072 0.86 MAOB (0.40) MRGPRX4DHODHNR4A2MAOB
SCHEMBL2460398 0.85 MAOB (0.41) MRGPRX4DHODHNR4A2MAOB
SCHEMBL2457734 0.83 NR1H2 (0.41) MRGPRX4MAOB
SCHEMBL2459807 0.82 IGF1R (0.47) MRGPRX4DHODHNR4A2SPHK2SPHK1
SCHEMBL2457017 0.82 MAOB (0.39) MRGPRX4DHODHMAOB
SCHEMBL2458332 0.82 NR1H2 (0.39) MRGPRX4DHODHMAOB
SCHEMBL2459704 0.82 TSHR (0.39) MRGPRX4DHODHNR4A2MAOB
SCHEMBL2460551 0.81 IGF1R (0.48) MRGPRX4SPHK2SPHK1JAK2BTK

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 5 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
EP-1957496-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-08-20 EP disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007064993-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-06-07 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 (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 MRGPRX4 356/4885DHODH 3662/4885NR4A2 2326/4885

“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.