SCHEMBL14295877

SCHEMBL14295877

CCCCc1ccc2cc(N)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SKP2 Q13309 1/20 0.46
TRPV1 Q8NER1 3/20 0.41
PDE10A Q9Y233 2/20 0.40
NPC1 O15118 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
PSMB5 P28074 1/20 0.39
LMNA P02545 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
SCHEMBL7730991 0.88 TLR8 (0.50) TLR8RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL7729942 0.83 RAB9A (0.44) RAB9AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL3597287 0.77 HSD17B10 (0.40) KDM4ESMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL23420196 0.76 ABL1 (0.39) TLR8KDM4EMAPTPDE10ALMNA
SCHEMBL26323741 0.75 PDGFRB (0.45) TLR8RAB9ASMN1; SMN2HSD17B10TRPV1
SCHEMBL6115165 0.74 ALDH1A1 (0.51) TLR8RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL27733540 0.73 EGFR (0.34) KDM4ESMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL10979440 0.72 MEN1 (0.60) RAB9AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL30668491 0.72 MEN1 (0.60) RAB9AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL4553164 0.71 HTR2A (0.53) TLR8RAB9AKDM4ESMN1; SMN2MEN1

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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S TLR8 2672/4885RAB9A 1585/4885KDM4E 3311/4885

“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.