SCHEMBL3380583

SCHEMBL3380583

Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)c[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
TGFBR1 P36897 2/20 0.41
HCAR2 Q8TDS4 2/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
CHEK1 O14757 1/20 0.36
PIM1 P11309 3/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 1/20 0.36
SYK P43405 1/20 0.35
NPC1 O15118 1/20 0.35
CDC7 O00311 3/20 0.35
DBF4 Q9UBU7 2/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL3380579 0.82 F10 (0.44) F2F10F7F3TGFBR1
SCHEMBL3391607 0.81 TGFBR1 (0.46) F2F10F7F3TGFBR1
SCHEMBL246730 0.78 ALOX5AP (0.39) F2F10F7F3NPC1
SCHEMBL3383739 0.78 F2 (0.50) F2F10F7F3TGFBR1
SCHEMBL246143 0.78 KDM4E (0.45) F2F10F7F3TGFBR1
SCHEMBL14884435 0.77 F2 (0.41) F2F10F7F3TGFBR1
SCHEMBL246233 0.77 NPC1 (0.41) F2F10F7F3TGFBR1
SCHEMBL243475 0.76 F2 (0.43) F2F10F7F3TGFBR1
SCHEMBL246654 0.76 F10 (0.46) F2F10F7F3TGFBR1
SCHEMBL3397176 0.76 CHEK1 (0.33) TGFBR1CDK1CHEK1PIM1PIM3

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 F2 4443/4885F10 4745/4885F7 4854/4885

“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.