SCHEMBL2298018

SCHEMBL2298018

CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.60
TGFBR1 P36897 19/20 0.56
CYP3A4 P08684 1/20 0.55
ACVR1B P36896 13/20 0.55
ACVRL1 P37023 11/20 0.55
ACVR1 Q04771 2/20 0.54
BMPR1A P36894 1/20 0.54

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
SCHEMBL12424789 0.91 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL12424790 0.90 TGFBR1 (0.64) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL2294813 0.89 TGFBR1 (0.66) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL12424824 0.88 TGFBR1 (0.58) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL12090675 0.87 NUDT1 (0.65) NUDT1TGFBR1CYP3A4ACVR1BACVRL1
SCHEMBL2210473 0.85 NUDT1 (0.56) NUDT1TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL12424767 0.85 TGFBR1 (0.64) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL12424843 0.84 TGFBR1 (0.54) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL21756143 0.83 NUDT1 (0.45) NUDT1TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL12425323 0.82 TGFBR1 (0.46) TGFBR1CYP3A4ACVR1BACVRL1ACVR1

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 NUDT1 520/4885TGFBR1 3742/4885CYP3A4 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.