SCHEMBL4853995

SCHEMBL4853995

CCCc1ccn(-c2cc(Nc3ccc(C)cc3C)nc(C)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK10 P53779 1/20 0.41
GALR2 O43603 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
HPGD P15428 1/20 0.34
CRHR1 P34998 1/20 0.34
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4853755 0.78 CRHR1 (0.43) MAPK1LMNAMAPTCRHR1KDM5A
SCHEMBL19700421 0.61 CRHR1 (0.42) MAPK1LMNAMAPTCRHR1NPSR1
SCHEMBL1334869 0.60 RAPGEF4 (0.74) ALDH1A1NPC1RAB9AMAPK1LMNA
SCHEMBL30320262 0.60 RAPGEF4 (0.74) ALDH1A1NPC1RAB9AMAPK1LMNA
SCHEMBL15603543 0.60 KDM5A (0.40) KDM5AKDM4CKDM5B
SCHEMBL9879894 0.60 GAA (0.57) ALDH1A1NPC1RAB9AMAPK1LMNA
SCHEMBL4855605 0.60 MAPT (0.41) ALDH1A1NPC1RAB9AMAPK1LMNA
SCHEMBL11564238 0.59 RAPGEF4 (0.61) ALDH1A1NPC1RAB9AMAPK1LMNA
SCHEMBL8348988 0.57 RAPGEF4 (0.52) ALDH1A1NPC1RAB9AMAPK1LMNA
SCHEMBL22814342 0.57 RAPGEF4 (0.63) ALDH1A1NPC1RAB9AMAPK10MAPK1

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
US-7414059-B2 Pyrazolyl and imidazolyl pyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2008-08-19 US disclosed
US-7414059-B2 Pyrazolyl and imidazolyl pyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2008-08-19 US disclosed
US-7414059-B2 Pyrazolyl and imidazolyl pyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2008-08-19 US disclosed
US-20050113382-A1 Spiro tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC 2005-05-26 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-20050113382-A1 Spiro tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists AVPR2, CRHR1, CRHR2 ALDH1A1 1058/4885NPC1 890/4885RAB9A 758/4885

“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.