SCHEMBL3378871

SCHEMBL3378871

Cc1cc(-c2ccccc2F)nc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
DHODH Q02127 1/20 0.48
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 2/20 0.44
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
ADORA2A P29274 4/20 0.43
ADORA1 P30542 3/20 0.43
KDM5B Q9UGL1 1/20 0.40
MBNL1 Q9NR56 1/20 0.40
SYK P43405 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL15976492 0.86 IDO1 (0.45) F2F10F7F3DHODH
SCHEMBL12424713 0.85 IDO1 (0.46) F2F10F7F3DHODH
SCHEMBL245109 0.83 F2 (0.48) F2F10F7F3DHODH
SCHEMBL21756136 0.82 F2 (0.50) F2F10F7F3DHODH
SCHEMBL12424712 0.82 KDM4E (0.51) F2F10F7F3DHODH
SCHEMBL246960 0.82 F2 (0.50) F2F10F7F3DHODH
SCHEMBL12424799 0.82 F2 (0.50) F2F10F7F3DHODH
SCHEMBL12424715 0.81 MPL (0.44) F2F10F7F3DHODH
SCHEMBL14887714 0.80 NPC1 (0.41) F2F10F7F3DHODH
SCHEMBL19829493 0.79 CCR1 (0.41) DHODHCCR1CCR8IDO1

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 5 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-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D F2 2592/4885F10 2349/4885F7 3586/4885

“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.