SCHEMBL3391889

SCHEMBL3391889

Fc1ccccc1-c1cc(-c2nncc3cnccc23)c2cccnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.42
GABRB3 P28472 6/20 0.42
GABRA5 P31644 6/20 0.42
GABRA3 P34903 6/20 0.42
GABRA1 P14867 4/20 0.42
NPC1 O15118 3/20 0.41
F10 P00742 2/20 0.40
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
F2 P00734 1/20 0.40
KDR P35968 1/20 0.38
DHODH Q02127 1/20 0.38
PIM1 P11309 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CYP1A2 P05177 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
SCHEMBL3379868 0.86 NPC1 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL247583 0.84 NPC1 (0.44) NPC1F10F7F3F2
SCHEMBL246205 0.83 NPC1 (0.40) GABRG2GABRB3GABRA5GABRA3NPC1
SCHEMBL21756177 0.83 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3391663 0.83 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL14884424 0.82 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3393479 0.81 IKBKE (0.50) NPC1F10F7F3F2
SCHEMBL3382047 0.80 KDR (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL250767 0.80 NPC1 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3382315 0.79 NPC1 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1

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 GABRG2 4475/4885GABRB3 4247/4885GABRA5 4311/4885

“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.