SCHEMBL15345205

SCHEMBL15345205

Cc1ccnc(-c2ccc3c(n2)N(C)CCO3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 3/20 0.41
GRM5 P41594 5/20 0.40
METAP2 P50579 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PIK3CD O00329 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL15342745 0.84 GRM5 (0.38) PIK3CAPIK3CBPIK3CGGRM5CYP11B1
SCHEMBL15345146 0.81 MTOR (0.45) PIK3CAPIK3CBPIK3CGGRM5LRRK2
SCHEMBL15345169 0.78 GRM5 (0.50) CCR1CCR5CCR8GRM5METAP2
SCHEMBL15345191 0.78 CCR1 (0.47) CCR1CCR5CCR8PIK3CAPIK3CB
SCHEMBL7940326 0.76 GRM5 (0.41) PIK3CAPIK3CBPIK3CGGRM5CYP11B1
SCHEMBL15345147 0.74 CYP11B1 (0.57) CCR1CCR5CCR8GRM5METAP2
SCHEMBL15345180 0.73 CCR1 (0.41) CCR1CCR5CCR8PIK3CAPIK3CB
SCHEMBL25029143 0.71 GRM5 (0.40) PIK3CAPIK3CBPIK3CGGRM5CYP11B1
SCHEMBL29658910 0.71 GRM5 (0.40) PIK3CAPIK3CBPIK3CGGRM5CYP11B1
SCHEMBL29364626 0.71 GRM5 (0.40) PIK3CAPIK3CBPIK3CGGRM5CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR1 106/4885CCR5 3/4885CCR8 125/4885

“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.