SCHEMBL3537188

SCHEMBL3537188

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PPARG P37231 1/20 0.42
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 2/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NMT1 P30419 4/20 0.38
NMT2 O60551 1/20 0.38
DHODH Q02127 2/20 0.38
NR4A2 P43354 1/20 0.37

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
SCHEMBL3540151 0.84 BCHE (0.38) JAK2JAK3KMT2AMAOBMRGPRX4
SCHEMBL2456978 0.82 MRGPRX4 (0.40) MAOBMRGPRX4NR4A2
SCHEMBL2460381 0.81 MAOB (0.38) MAOBMRGPRX4NR4A2
SCHEMBL2460371 0.80 NR1H2 (0.42) KMT2AMAOBMRGPRX4NR4A2
SCHEMBL2465962 0.80 NR1H2 (0.42) JAK2JAK3PPARGMEN1KMT2A
SCHEMBL2462309 0.80 MRGPRX4 (0.43) JAK2JAK3MEN1KMT2AMAOB
SCHEMBL2460621 0.79 NR1H2 (0.39) PPARGMRGPRX4DHODHNR4A2
SCHEMBL2459986 0.78 TSHR (0.39) HSP90AA1MAOBMRGPRX4NR4A2
SCHEMBL2458350 0.77 MRGPRX4 (0.38) MAOBMRGPRX4DHODHNR4A2
SCHEMBL2461277 0.77 ALOX5 (0.40) MRGPRX4DHODH

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 JAK2 133/4885JAK3 92/4885PPARG 2823/4885

“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.