SCHEMBL14877433

SCHEMBL14877433

Nc1ccc2ccc(-c3ccccc3F)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.50
MPL P40238 1/20 0.49
PARP1 P09874 1/20 0.44
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
MAP4K1 Q92918 2/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADORA2A P29274 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 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
SCHEMBL10686116 0.79 PTPN1 (0.50) BACE1NPC1L3MBTL1IDO1KDM4E
SCHEMBL30166486 0.78 MPL (0.55) BACE1MPLPARP1NPC1L3MBTL1
SCHEMBL3935260 0.78 MPL (0.55) BACE1MPLPARP1NPC1L3MBTL1
SCHEMBL3394300 0.76 NPC1 (0.54) MPLPARP1NPC1L3MBTL1CASP3
SCHEMBL10691713 0.76 PTPN1 (0.54) L3MBTL1KDM4EALDH1A1ADORA2ARAB9A
SCHEMBL9956332 0.74 FEN1 (0.55) BACE1MPLPARP1NPC1L3MBTL1
SCHEMBL9375675 0.74 ASIC3 (0.59) BACE1NPC1KDM4EALDH1A1ADORA2A
SCHEMBL1582795 0.73 MPL (0.53) MPLPARP1NPC1L3MBTL1CASP3
SCHEMBL1765925 0.72 BACE1 (0.48) BACE1KDM4EALDH1A1NCF1NOS2
SCHEMBL10688965 0.71 RAB9A (0.46) BACE1PARP1NPC1KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BACE1 1062/4885MPL 914/4885PARP1 1278/4885

“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.