SCHEMBL6448665

SCHEMBL6448665

COc1ccccc1-c1ccn(-c2ccccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
GRM5 P41594 2/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CYP19A1 P11511 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
SCHEMBL3926024 0.85 SYK (0.45) GRM5HSD17B10KDM4ENPC1RAB9A
SCHEMBL7049088 0.84 GRM5 (0.45) PDCD1CD274GRM5HSD17B10KDM4E
SCHEMBL6460844 0.82 ALDH1A1 (0.43) PDCD1CD274GRM5HSD17B10KDM4E
SCHEMBL6448695 0.80 MAPT (0.50) GRM5HSD17B10KDM4ENPC1RAB9A
SCHEMBL6449004 0.79 GRM5 (0.50) GRM5HSD17B10KDM4ENPC1GAA
SCHEMBL6448429 0.78 ALDH1A1 (0.47) GRM5HSD17B10KDM4ENPC1RAB9A
SCHEMBL6452303 0.78 CHRNA7 (0.48) GRM5KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6449917 0.77 MAPT (0.50) GRM5HSD17B10KDM4ENPC1GAA
SCHEMBL6451938 0.76 MAPK1 (0.45) GRM5KDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL6452335 0.76 GABRA1 (0.41) HSD17B10KDM4ETP53CYP2C19ALDH1A1

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC PDCD1 2225/4885CD274 3032/4885GRM5 4040/4885

“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.