SCHEMBL3379368

SCHEMBL3379368

CCN(CC)CCOc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.36
TGFBR1 P36897 10/20 0.36
ACVRL1 P37023 7/20 0.36
ACVR1B P36896 6/20 0.36
IDO1 P14902 2/20 0.34
CCR4 P51679 1/20 0.34
HTT P42858 1/20 0.34
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
RIPK2 O43353 1/20 0.34
NOD2 Q9HC29 1/20 0.34
HTR1A P08908 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
GHSR Q92847 1/20 0.33
FLT3 P36888 1/20 0.33
PIM3 Q86V86 1/20 0.33

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
SCHEMBL3379888 0.89 AGER (0.38) AGERTGFBR1ACVRL1ACVR1BCCR4
SCHEMBL21756191 0.86 CCR4 (0.38) TGFBR1ACVRL1ACVR1BIDO1CCR4
SCHEMBL3382860 0.82 PIM1 (0.41) TGFBR1ACVR1BPIM1PIM2FLT3
SCHEMBL3381872 0.82 HTR1A (0.38) TGFBR1ACVRL1ACVR1BIDO1CCR4
SCHEMBL3385997 0.81 KDM4E (0.44) TGFBR1ACVRL1ACVR1BIDO1CCR4
SCHEMBL3380142 0.81 AGER (0.35) AGERIDO1PIM1PIM2
SCHEMBL21756156 0.80 TGFBR1 (0.39) TGFBR1ACVRL1ACVR1BIDO1PIM1
SCHEMBL3390023 0.80 TGFBR1 (0.40) TGFBR1ACVRL1ACVR1BIDO1PIM1
SCHEMBL246289 0.80 GRM4 (0.45) HTTPIM1PIM2FLT3PIM3
SCHEMBL3383010 0.80 IDO1 (0.42) TGFBR1ACVRL1ACVR1BIDO1PIM1

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 AGER 1453/4885TGFBR1 1/4885ACVRL1 227/4885

“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.