SCHEMBL3385997

SCHEMBL3385997

CCN(CC)CCNc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACP1 P24666 1/20 0.40
PIM1 P11309 2/20 0.37
CHEK1 O14757 1/20 0.37
IDO1 P14902 1/20 0.37
LTK P29376 1/20 0.37
LIMK1 P53667 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CCR4 P51679 2/20 0.37
TGFBR1 P36897 11/20 0.36
ACVRL1 P37023 7/20 0.36
FLT3 P36888 2/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ACVR1B P36896 6/20 0.36
CDK1 P06493 1/20 0.35
BMPR1A P36894 1/20 0.34

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 0.84 AGER (0.38) KDM4ECCR4TGFBR1ACVRL1ACVR1B
SCHEMBL3379368 0.81 AGER (0.36) HTTPIM1IDO1CCR4TGFBR1
SCHEMBL21756191 0.81 CCR4 (0.38) ACP1PIM1IDO1CCR4TGFBR1
SCHEMBL3390252 0.79 TGFBR1 (0.40) ACP1PIM1IDO1TGFBR1ACVRL1
SCHEMBL3381872 0.79 HTR1A (0.38) KDM4EIDO1CCR4TGFBR1ACVRL1
SCHEMBL3383905 0.79 TGFBR1 (0.41) ACP1PIM1IDO1TGFBR1ACVRL1
SCHEMBL3392992 0.77 TGFBR1 (0.39) ACP1PIM1IDO1TGFBR1ACVRL1
SCHEMBL3383010 0.77 IDO1 (0.42) PIM1IDO1TGFBR1ACVRL1PIM2
Hydrochloric Acid SCHEMBL14877110 0.76 TGFBR1 (0.39) ACP1PIM1IDO1TGFBR1ACVRL1
SCHEMBL3380142 0.76 AGER (0.35) KDM4EPIM1IDO1PIM2

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 KDM4E 1734/4885LMNA 1580/4885HTT 4835/4885

“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.