SCHEMBL3272875

SCHEMBL3272875

CC(=O)C#Cc1cccc(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53
KMT2A Q03164 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRM1 Q13255 1/20 0.53

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
SCHEMBL6578921 0.85 GRM5 (0.58) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23389973 0.81 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29110703 0.80 ALDH1A1 (0.40) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4871735 0.78 GRM5 (0.54) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13162457 0.76 P2RX7 (0.43) GRM5
SCHEMBL13162466 0.75 BRD4 (0.47) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13162467 0.75 CYP1A2 (0.64) GRM5NPC1RAB9AMEN1ALDH1A1
SCHEMBL23075939 0.74 GRM5 (0.62) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4710493 0.73 GRM5 (0.60) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3274122 0.72 GRM5 (0.60) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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-7691865-B2 Pyrazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. (US) 2010-04-06 US disclosed
EP-1551398-A4 PYRAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP disclosed
US-20060106033-A1 Pyrazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-05-18 US disclosed
EP-1551398-A1 PYRAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-07-13 EP disclosed
WO-2004022054-A1 PYRAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 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-20060106033-A1 Pyrazolopyridines and methods of making and using the same ALK, ACVR1, ACVRL1 GRM5 2102/4885NPC1 3220/4885RAB9A 3626/4885

“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.