SCHEMBL17548779

SCHEMBL17548779

Brc1cnc2cc(-c3ccccc3)cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
BIRC5 O15392 1/20 0.50
PSMB5 P28074 1/20 0.46
PDGFRB P09619 3/20 0.45
PDGFRA P16234 2/20 0.45
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
DYRK1B Q9Y463 1/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44

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
SCHEMBL14184261 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28486604 0.80 BIRC5 (0.55) SMN1; SMN2BIRC5PDGFRBPDGFRAALDH1A1
SCHEMBL29470857 0.78 DYRK1A (0.52) SMN1; SMN2BIRC5PDGFRBPDGFRAKDR
SCHEMBL934055 0.78 DYRK1A (0.52) SMN1; SMN2BIRC5PDGFRBPDGFRAKDR
SCHEMBL5303005 0.76 CYP2A6 (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17548800 0.76 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5197973 0.76 BIRC5 (0.63) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28492581 0.74 CA12 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL27114779 0.73 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL22909971 0.72 RAB9A (0.70) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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
CN-106554352-B Polycyclic aromatic hydrocarbon derivative containing naphthyridine group and application thereof 北京鼎材科技有限公司 2020-12-08 CN disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
CN-106554352-A A kind of condensed-nuclei aromatics derivant containing naphthyridines group and its application 北京鼎材科技有限公司 2017-04-05 CN disclosed
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 NPC1 2710/4885RAB9A 3355/4885SMN1; SMN2 741/4885

“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.