SCHEMBL3389931

SCHEMBL3389931

Fc1ccc(Cl)cc1-c1cc(-c2ccc(OCCN3CCCC3)c3cnccc23)c2cccnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
PIM1 P11309 1/20 0.41
FLT3 P36888 1/20 0.41
PIM3 Q86V86 1/20 0.41
BAD Q92934 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
AXL P30530 2/20 0.40
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
ACP1 P24666 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
TNK2 Q07912 1/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37

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
SCHEMBL21756184 0.91 NOS3 (0.43) NOS3NOS1NOS2ACVRL1ACVR1
SCHEMBL3382860 0.89 PIM1 (0.41) PIM1FLT3PIM3BADPIM2
SCHEMBL3383010 0.84 IDO1 (0.42) NOS3NOS1NOS2PIM1PIM2
SCHEMBL246063 0.83 PIM1 (0.41) NOS3NOS1NOS2PIM1FLT3
SCHEMBL3379888 0.82 AGER (0.38) ACVRL1ACVR1KDRACVR1BTGFBR1
SCHEMBL246289 0.82 GRM4 (0.45) PIM1FLT3PIM3BADPIM2
SCHEMBL3385992 0.81 HTR6 (0.39) PIM1FLT3PIM3BADPIM2
SCHEMBL12441219 0.80 ACHE (0.44) AXLACVRL1ACVR1FLT1KDR
SCHEMBL12440260 0.79 WNT1 (0.46) PIM1FLT3PIM3BADPIM2
SCHEMBL248418 0.79 LATS1 (0.39) PIM1FLT3PIM3BADPIM2

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 NOS3 2501/4885NOS1 1532/4885NOS2 1688/4885

“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.