SCHEMBL3538747

SCHEMBL3538747

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
NR1H2 P55055 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
ERN1 O75460 1/20 0.36
NR4A2 P43354 2/20 0.36
CTSA P10619 1/20 0.36
HPGD P15428 2/20 0.35
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 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
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3538398 0.87 MAOB (0.38) MAOBNR1H2MRGPRX4F9F10
SCHEMBL2456978 0.86 MRGPRX4 (0.40) MAOBNR1H2MRGPRX4CYP4F2CYP4A11
SCHEMBL2460381 0.85 MAOB (0.38) MAOBNR1H2MRGPRX4CYP4F2CYP4A11
SCHEMBL3540151 0.84 BCHE (0.38) MAOBNR1H2MRGPRX4CYP4F2CYP4A11
SCHEMBL2460371 0.84 NR1H2 (0.42) MAOBNR1H2MRGPRX4CYP4F2CYP4A11
SCHEMBL2460621 0.83 NR1H2 (0.39) NR1H2MRGPRX4CYP4F2CYP4A11NR4A2
SCHEMBL2459986 0.82 TSHR (0.39) MAOBNR1H2MRGPRX4CYP4F2CYP4A11
SCHEMBL2461277 0.81 ALOX5 (0.40) NR1H2MRGPRX4CYP4F2CYP4A11F9
SCHEMBL2458350 0.81 MRGPRX4 (0.38) MAOBNR1H2MRGPRX4CYP4F2CYP4A11
SCHEMBL3537188 0.81 JAK2 (0.45) MAOBMRGPRX4NR4A2KMT2ADHODH

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 3012/4885NR1H2 1958/4885MRGPRX4 356/4885

“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.