SCHEMBL4147930

SCHEMBL4147930

O=C(Nc1nc(C#Cc2cccnc2)cs1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.73
LMNA P02545 3/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 1/20 0.51
KDM4A O75164 1/20 0.50
KDM4B O94953 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
PARP1 P09874 1/20 0.49
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL4153643 0.84 GRM5 (1.00) GRM5CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL4146880 0.82 GRM5 (0.78) GRM5CYP1A2CYP2D6
SCHEMBL24434813 0.76 GRM5 (0.58) GRM5LMNACYP1A2CYP2D6MAPT
SCHEMBL4146656 0.75 GRM5 (0.62) GRM5LMNACYP1A2CYP2D6MAPT
SCHEMBL18161660 0.74 GRM5 (1.00) GRM5LMNACYP1A2CYP2D6ALDH1A1
SCHEMBL11469127 0.73 LMNA (1.00) LMNAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7420431 0.73 ALK (0.49) GRM5LMNACYP1A2MAPTRAB9A
SCHEMBL187254 0.71 GRM5 (1.00) GRM5CYP1A2CYP2D6
SCHEMBL30273059 0.71 GRM5 (1.00) GRM5CYP1A2CYP2D6
SCHEMBL12601848 0.70 LMNA (0.71) LMNAMAPTRAB9ANPC1SMN1; SMN2

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 13/4885LMNA 4781/4885CYP1A2 4845/4885
US-20110306601-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 GRM5 15/4885LMNA 4777/4885CYP1A2 4845/4885
US-20130123248-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 GRM5 15/4885LMNA 4777/4885CYP1A2 4845/4885

“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.