SCHEMBL4148449

SCHEMBL4148449

Cc1nc(C=Cc2cccnc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 1.00
CYP2A6 P11509 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
GRM4 Q14833 1/20 0.50
ALOX5 P09917 3/20 0.49
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JUN P05412 1/20 0.42

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
SCHEMBL4148438 1.00 GRM5 (1.00) GRM5CYP2A6NPC1RAB9AMEN1
SCHEMBL6312457 0.82 GRM5 (0.69) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL6312461 0.82 GRM5 (0.69) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL29691623 0.75 CYP11B1 (0.86) GRM5CYP2A6NPC1RAB9AMEN1
SCHEMBL29691639 0.75 CYP11B1 (0.86) GRM5CYP2A6NPC1RAB9AMEN1
SCHEMBL4712060 0.74 NPC1 (0.67) GRM5CYP2A6NPC1RAB9AMEN1
SCHEMBL4712059 0.74 NPC1 (0.67) GRM5CYP2A6NPC1RAB9AMEN1
SCHEMBL10992894 0.74 GRM5 (0.57) GRM5CYP2A6NPC1RAB9AMEN1
SCHEMBL29691514 0.73 CYP11B1 (0.82) GRM5CYP2A6NPC1RAB9AMEN1
SCHEMBL29691548 0.73 CYP11B1 (0.82) GRM5CYP2A6NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123248-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-20110306601-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-15 US disclosed
US-20090192199-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-30 US disclosed
EP-2010174-A2 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION The Regents of the University of California (US) 2009-01-07 EP disclosed
WO-2007124348-A2 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 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 (3 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-20090192199-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 GRM5 13/4885CYP2A6 4764/4885NPC1 2719/4885
US-20110306601-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 GRM5 15/4885CYP2A6 4768/4885NPC1 2707/4885
US-20130123248-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 GRM5 15/4885CYP2A6 4768/4885NPC1 2707/4885

“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.