SCHEMBL12424680

SCHEMBL12424680

Fc1ccc(F)c(-c2cc(Nc3ccncc3)c3cccnc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.52
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C8 P10632 3/20 0.52
TRPV1 Q8NER1 1/20 0.42
ACP1 P24666 1/20 0.41
PRKD3 O94806 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
IDO1 P14902 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39

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
SCHEMBL12424817 0.90 TGFBR1 (0.64) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL2302349 0.88 TGFBR1 (0.52) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL2302228 0.88 TGFBR1 (0.64) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL2298429 0.88 TRPV1 (0.52) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL12424842 0.87 TGFBR1 (0.52) TGFBR1CYP1A2CYP3A4CYP2C8ABCG2
SCHEMBL14227370 0.86 ACP1 (0.51) TGFBR1CYP1A2CYP3A4CYP2C8ACP1
SCHEMBL12425139 0.85 TGFBR1 (0.46) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL2298031 0.84 ACP1 (0.50) TGFBR1CYP1A2CYP3A4CYP2C8TRPV1
SCHEMBL12090674 0.83 TGFBR1 (0.61) TGFBR1CYP1A2CYP3A4CYP2C8ACP1
SCHEMBL12426550 0.82 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8ABCG2

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 3742/4885CYP1A2 1450/4885CYP3A4 828/4885

“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.