SCHEMBL2299720

SCHEMBL2299720

OCc1cnccc1Nc1cc(-c2cc(C(F)(F)F)ccc2F)nc2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.42
MAPK3 P27361 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
MPL P40238 2/20 0.36
TGFBR1 P36897 4/20 0.36
ACVR1B P36896 2/20 0.35
ACVRL1 P37023 2/20 0.35
CYP3A4 P08684 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL12426550 0.89 TGFBR1 (0.40) TGFBR1ACVR1BACVRL1CYP3A4LATS1
SCHEMBL12425323 0.89 TGFBR1 (0.46) TGFBR1ACVR1BACVRL1CYP3A4
SCHEMBL2298429 0.83 TRPV1 (0.52) TRPV1MAPK3MPLTGFBR1CYP3A4
SCHEMBL2301070 0.83 ALDH1A1 (0.41) TRPV1MAPK3MPL
SCHEMBL12424755 0.82 KDM4E (0.41) TRPV1MAPK3KDM4ETGFBR1ACVR1B
SCHEMBL2300323 0.81 MPL (0.49) TRPV1MAPK3MPLABCG2
SCHEMBL12424763 0.80 TRPV1 (0.45) TRPV1MAPK3KDM4EMPLABCG2
SCHEMBL12425347 0.78 TRPV1 (0.42) TRPV1MAPK3KDM4EMPLABCG2
SCHEMBL12441314 0.76 MPL (0.44) TRPV1KDM4ETRPV3MPLSUCNR1
SCHEMBL12426556 0.75 TGFBR1 (0.47) TGFBR1CYP3A4ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
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-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
EP-2539336-A2 HETARYLAMINONAPHTHYRIDINES Merck Patent GmbH (DE) 2013-01-02 EP 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
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
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 TRPV1 4168/4885MAPK3 1961/4885KDM4E 3526/4885

“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.