SCHEMBL9902843

SCHEMBL9902843

C(#Cc1cnc2cccnc2c1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
PIK3CA P42336 2/20 0.47
PDK1 Q15118 1/20 0.47
CYP2A6 P11509 6/20 0.46
MTOR P42345 1/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2B6 P20813 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2E1 P05181 2/20 0.45
CYP3A4 P08684 2/20 0.45
GRM5 P41594 5/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C8 P10632 1/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 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
SCHEMBL9902619 0.86 GRM5 (0.51) GRM5
SCHEMBL9902735 0.85 PIK3CA (0.42) AAK1PIK3CAPDK1MTORGRM5
SCHEMBL9902646 0.82 AAK1 (0.49) AAK1PIK3CAPDK1CYP2A6MTOR
SCHEMBL9903391 0.81 MTOR (0.45) PIK3CAMTOR
SCHEMBL9903420 0.80 GRM5 (0.55) GRM5CHRNB2CHRNA4
SCHEMBL9903118 0.80 BCHE (0.43) GRM5
SCHEMBL9903865 0.80 GRM5 (0.43) CYP2C9CYP2C19GRM5KCNH2CYP1A2
SCHEMBL6157594 0.79 ALDH1A1 (0.38) AAK1CYP2C19GRM5CYP1A2
SCHEMBL9903071 0.79 NTRK3 (0.39) GRM5CHRNB2CHRNA4
SCHEMBL9903795 0.79 NR4A2 (0.42) GRM5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US claimed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP claimed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 AAK1 915/4885PIK3CA 2885/4885PDK1 1012/4885

“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.