SCHEMBL3380840

SCHEMBL3380840

O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CC(O)CO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
TGFBR1 P36897 19/20 0.36
ACVR1B P36896 14/20 0.36
ACVRL1 P37023 12/20 0.36
ACVR1 Q04771 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL245858 0.88 IDO1 (0.39) IDO1TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL3389923 0.87 GSK3B (0.40) IDO1TGFBR1ACVR1BACVRL1CYP1A2
SCHEMBL3384191 0.83 IDO1 (0.42) IDO1TGFBR1ACVR1CYP1A2CYP3A4
SCHEMBL3385992 0.82 HTR6 (0.39) IDO1TGFBR1ACVR1BCYP1A2CYP3A4
SCHEMBL3381872 0.81 HTR1A (0.38) IDO1TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL245797 0.81 CSNK2A2 (0.40) IDO1
SCHEMBL3382756 0.80 IDO1 (0.40) IDO1
SCHEMBL3389785 0.78 F10 (0.39) IDO1
SCHEMBL3379333 0.75 IDO1 (0.39) IDO1TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL3389011 0.75 GSK3B (0.50) TGFBR1ACVR1BACVRL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 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-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 IDO1 2183/4885TGFBR1 1/4885ACVR1B 403/4885

“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.