SCHEMBL12426549

SCHEMBL12426549

Cc1cccc(-c2cc(Nc3ccnc(Cl)c3)c3cccnc3n2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.53
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
GRM4 Q14833 1/20 0.37
TGFBR2 P37173 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
SRC P12931 1/20 0.36
IGF1R P08069 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
MAPK14 Q16539 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
SCHEMBL2298659 0.86 TGFBR1 (0.70) TGFBR1CYP3A4CYP2C8TGFBR2TRPV1
SCHEMBL12426557 0.81 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8TGFBR2ABCG2
SCHEMBL12426555 0.79 TGFBR1 (0.49) TGFBR1CYP3A4CYP2C8TGFBR2TRPV1
SCHEMBL2300995 0.77 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8TGFBR2TRPV1
SCHEMBL12425325 0.77 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8TGFBR2TRPV1
SCHEMBL12424778 0.77 TGFBR1 (0.51) TGFBR1CYP3A4CYP2C8ABCG2TRPV1
SCHEMBL246878 0.77 ADORA1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2IGF1R
SCHEMBL2301037 0.76 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2TRPV1
SCHEMBL12424842 0.76 TGFBR1 (0.52) TGFBR1CYP3A4CYP2C8ABCG2MAPK14
SCHEMBL2295752 0.76 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8TGFBR2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D TGFBR1 3742/4885CYP3A4 828/4885CYP2C8 2496/4885

“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.