SCHEMBL3385991

SCHEMBL3385991

O=c1[nH]cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.41
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 3/20 0.41
IDO1 P14902 1/20 0.39
PIM1 P11309 2/20 0.39
FLT3 P36888 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
IKBKE Q14164 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
RET P07949 1/20 0.38
PDPK1 O15530 1/20 0.37
HCAR2 Q8TDS4 2/20 0.37
PRKD3 O94806 2/20 0.36
CDC7 O00311 2/20 0.36
CDK8 P49336 2/20 0.36
ROCK1 Q13464 2/20 0.36
DYRK1A Q13627 2/20 0.36
LRRK2 Q5S007 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36

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
SCHEMBL3382050 0.91 IDO1 (0.40) TGFBR1IDO1PIM1FLT3PIM3
SCHEMBL3380579 0.89 F10 (0.44) TGFBR1CYP3A4CYP1A2PIM1FLT3
SCHEMBL3378612 0.88 TGFBR1 (0.52) TGFBR1CYP3A4CYP1A2PIM1FLT3
Formic Acid SCHEMBL248032 0.85 TGFBR1 (0.47) TGFBR1CYP3A4CYP1A2IKBKERET
SCHEMBL3390023 0.82 TGFBR1 (0.40) TGFBR1CYP3A4CYP1A2IDO1PIM1
SCHEMBL3390252 0.82 TGFBR1 (0.40) TGFBR1CYP3A4CYP1A2IDO1PIM1
SCHEMBL12440185 0.81 TGFBR1 (0.41) TGFBR1CYP3A4CYP1A2IDO1PIM1
SCHEMBL3392992 0.81 TGFBR1 (0.39) TGFBR1CYP3A4CYP1A2IDO1PIM1
SCHEMBL21756156 0.81 TGFBR1 (0.39) TGFBR1CYP3A4CYP1A2IDO1PIM1
SCHEMBL247224 0.81 TBK1 (0.46) TGFBR1CYP3A4CYP1A2IDO1PIM1

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 14 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-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-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
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-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
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 (2 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 828/4885CYP1A2 1450/4885
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 TGFBR1 1/4885CYP3A4 3712/4885CYP1A2 2809/4885

“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.