SCHEMBL3380579

SCHEMBL3380579

O=c1[nH]cc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
F2 P00734 1/20 0.44
IKBKE Q14164 2/20 0.42
TBK1 Q9UHD2 2/20 0.42
TGFBR1 P36897 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
PDPK1 O15530 1/20 0.39
NPC1 O15118 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
RET P07949 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
PIM1 P11309 3/20 0.38

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 0.90 IDO1 (0.40) F10F7F3F2IKBKE
SCHEMBL3385991 0.89 TGFBR1 (0.41) F10F7F3F2IKBKE
SCHEMBL3380583 0.82 F2 (0.42) F10F7F3F2TGFBR1
SCHEMBL14884435 0.82 F2 (0.41) F10F7F3F2TGFBR1
SCHEMBL3383739 0.80 F2 (0.50) F10F7F3F2TGFBR1
SCHEMBL3393479 0.80 IKBKE (0.50) F10F7F3F2IKBKE
SCHEMBL247583 0.80 NPC1 (0.44) F10F7F3F2IKBKE
SCHEMBL246201 0.79 TBK1 (0.49) F10F7F3F2TBK1
SCHEMBL14887714 0.79 NPC1 (0.41) F10F7F3F2TGFBR1
SCHEMBL3385405 0.79 NPC1 (0.41) F10F7F3F2TGFBR1

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-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-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 F10 4745/4885F7 4854/4885F3 2700/4885

“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.