SCHEMBL3378612

SCHEMBL3378612

Fc1ccc(Cl)cc1-c1cc(-c2c[nH]c3cnccc23)c2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.52
IKBKE Q14164 2/20 0.52
PDPK1 O15530 1/20 0.52
DYRK1A Q13627 10/20 0.45
NFATC1 O95644 6/20 0.45
GSK3B P49841 4/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CDK2 P24941 4/20 0.41
DYRK1B Q9Y463 4/20 0.41
IGF1R P08069 3/20 0.40
TBK1 Q9UHD2 1/20 0.39
RET P07949 1/20 0.39
ELANE P08246 1/20 0.39
PIM1 P11309 1/20 0.38
FLT3 P36888 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 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
Formic Acid SCHEMBL248032 0.94 TGFBR1 (0.47) TGFBR1IKBKEPDPK1DYRK1ANFATC1
SCHEMBL3385991 0.88 TGFBR1 (0.41) TGFBR1IKBKEPDPK1DYRK1AGSK3B
SCHEMBL14877111 0.87 IKBKE (0.49) TGFBR1IKBKEPDPK1DYRK1ANFATC1
SCHEMBL12440185 0.83 TGFBR1 (0.41) TGFBR1CYP1A2CYP3A4PIM1FLT3
SCHEMBL244421 0.82 KDR (0.47) TGFBR1IKBKECYP1A2CYP3A4TBK1
SCHEMBL3390023 0.82 TGFBR1 (0.40) TGFBR1CYP1A2CYP3A4PIM1FLT3
SCHEMBL3390252 0.82 TGFBR1 (0.40) TGFBR1CYP1A2CYP3A4RETPIM1
SCHEMBL247224 0.80 TBK1 (0.46) TGFBR1DYRK1AGSK3BCYP1A2CYP3A4
SCHEMBL21756156 0.80 TGFBR1 (0.39) TGFBR1CYP1A2CYP3A4PIM1FLT3
SCHEMBL3392992 0.80 TGFBR1 (0.39) TGFBR1CYP1A2CYP3A4PIM1FLT3

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 7 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-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 TGFBR1 1/4885IKBKE 52/4885PDPK1 42/4885

“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.