SCHEMBL5197973

SCHEMBL5197973

Brc1ccc2ncc(-c3ccccc3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.63
NPC1 O15118 2/20 0.53
NFKB1 P19838 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PDGFRB P09619 4/20 0.53
PDGFRA P16234 4/20 0.53
CYP2A6 P11509 1/20 0.47
MAPK10 P53779 1/20 0.46
PSMB5 P28074 1/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
AXL P30530 1/20 0.45
CDK8 P49336 1/20 0.45
PTGES O14684 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
SCHEMBL29375750 0.80 PDGFRB (0.54) BIRC5NPC1NFKB1RAB9ANFKB2
SCHEMBL24871233 0.80 BIRC5 (0.70) BIRC5NPC1NFKB1RAB9ANFKB2
SCHEMBL9271431 0.80 BIRC5 (0.70) BIRC5NPC1NFKB1RAB9ANFKB2
SCHEMBL23197797 0.80 BIRC5 (0.49) BIRC5NPC1NFKB1RAB9ANFKB2
SCHEMBL708999 0.79 PDGFRB (0.75) BIRC5NPC1NFKB1RAB9ANFKB2
SCHEMBL29060564 0.79 PSMB5 (0.58) BIRC5NPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL14906625 0.79 TLR9 (0.58) BIRC5NPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL26613541 0.79 PDGFRB (0.54) BIRC5NPC1NFKB1RAB9ANFKB2
SCHEMBL20528292 0.78 BACE1 (0.47) BIRC5SMN1; SMN2CYP2A6KDM4EALDH1A1
SCHEMBL23980769 0.78 CYP11B1 (0.55) BIRC5NPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031552-A Method for synthesizing substituted quinoline derivative from aromatic aldehyde and aromatic amine participated in DMSO 长沙资材科技有限公司 2022-02-11 CN disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 BIRC5 487/4885NPC1 153/4885NFKB1 2319/4885

“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.