SCHEMBL13764341

SCHEMBL13764341

Cc1nc(-c2ccc(-c3cc(F)ccc3C)nc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AR P10275 2/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
ESR2 Q92731 1/20 0.44
ABL1 P00519 2/20 0.44
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43

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
SCHEMBL13764343 0.89 GRM5 (0.47) GRM5RAB9AMEN1NPC1KMT2A
SCHEMBL11982614 0.88 MEN1 (0.46) RAB9AMEN1NPC1KMT2AAR
SCHEMBL11982729 0.86 GRM5 (0.47) GRM5RAB9AMEN1NPC1KMT2A
SCHEMBL11982737 0.85 MAPT (0.54) GRM5RAB9AMEN1NPC1KMT2A
SCHEMBL8239076 0.84 GRM5 (0.63) GRM5RAB9AMEN1NPC1KMT2A
SCHEMBL13764342 0.82 CYP1A1 (0.52) GRM5RAB9AMEN1NPC1KMT2A
SCHEMBL8242243 0.82 KDM4E (0.49) RAB9ANPC1KDM4EPOLBGAA
SCHEMBL13764344 0.80 MAPT (0.43) GRM5RAB9AMEN1NPC1KMT2A
SCHEMBL8239128 0.80 KDM4E (0.47) RAB9AMEN1NPC1KMT2AAR
SCHEMBL8242296 0.80 KDM4E (0.56) GRM5RAB9AMEN1NPC1KMT2A

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-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 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-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 GRM5 1/4885RAB9A 2326/4885MEN1 3480/4885

“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.