SCHEMBL12426539

SCHEMBL12426539

CN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(F)ccc3F)nc3ncccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.55
CYP3A4 P08684 1/20 0.54
ACVR1B P36896 8/20 0.51
ACVRL1 P37023 7/20 0.51
WNT1 P04628 1/20 0.42
DYRK1A Q13627 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
PTK2 Q05397 1/20 0.40
BMPR1A P36894 1/20 0.39
ACVR1 Q04771 1/20 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
SCHEMBL12424767 0.93 TGFBR1 (0.64) TGFBR1CYP3A4ACVR1BACVRL1BMPR1A
SCHEMBL12094126 0.82 TGFBR1 (0.55) TGFBR1CYP3A4ACVR1BACVRL1WNT1
SCHEMBL12090419 0.82 TGFBR1 (0.65) TGFBR1CYP3A4ACVR1BACVRL1BMPR1A
SCHEMBL12424830 0.78 ABL1 (0.46) WNT1DYRK1ACDK2
SCHEMBL2298018 0.77 NUDT1 (0.60) TGFBR1CYP3A4ACVR1BACVRL1BMPR1A
SCHEMBL12424843 0.77 TGFBR1 (0.54) TGFBR1CYP3A4ACVR1BACVRL1BMPR1A
SCHEMBL12424789 0.75 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL12426550 0.75 TGFBR1 (0.40) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL12424824 0.74 TGFBR1 (0.58) TGFBR1CYP3A4ACVR1BACVRL1BMPR1A
SCHEMBL12424790 0.74 TGFBR1 (0.64) TGFBR1CYP3A4ACVR1BACVRL1BMPR1A

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 828/4885ACVR1B 4144/4885

“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.