SCHEMBL3382847

SCHEMBL3382847

Nc1nccc2c(-c3cc(-c4ccccc4)nc4ncccc34)nccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.40
TOP1 P11387 1/20 0.40
F12 P00748 1/20 0.40
PLAU P00749 1/20 0.40
NCF1 P14598 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
BACE1 P56817 1/20 0.40
ACHE P22303 2/20 0.39
KDM4E B2RXH2 2/20 0.38
PPARG P37231 2/20 0.38
NR2E3 Q9Y5X4 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3384665 0.84 HSP90AA1 (0.41) TGFBR1F12PLAUNCF1NOS3
SCHEMBL243475 0.84 F2 (0.43) TGFBR1F12PLAUNCF1NOS3
Hydrochloric Acid SCHEMBL244877 0.83 F2 (0.42) TGFBR1F12PLAUNCF1NOS3
SCHEMBL3386508 0.81 TGFBR1 (0.39) TGFBR1F12PLAUNCF1NOS3
SCHEMBL14884401 0.81 TGFBR1 (0.40) TGFBR1F12PLAUNCF1NOS3
SCHEMBL3393145 0.80 IDO1 (0.38) TGFBR1F12PLAUNCF1NOS3
Hydrochloric Acid SCHEMBL14876603 0.80 TGFBR1 (0.40) TGFBR1F12PLAUNCF1NOS3
SCHEMBL3380655 0.79 ALDH1A1 (0.40) TGFBR1KDM4EPOLBMCL1HPGD
SCHEMBL3390281 0.79 IDO1 (0.38) TGFBR1F12PLAUNCF1NOS3
Hydrochloric Acid SCHEMBL14876669 0.79 IDO1 (0.38) TGFBR1F12PLAUNCF1NOS3

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 TGFBR1 1/4885TOP1 939/4885F12 4236/4885

“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.