SCHEMBL9903641

SCHEMBL9903641

C(#Cc1cnc2ccnn2c1)C1=CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
GRM5 P41594 2/20 0.48
KIT P10721 15/20 0.42
DDR1 Q08345 12/20 0.42
DDR2 Q16832 1/20 0.39
FFAR1 O14842 1/20 0.38
BRAF P15056 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9903299 0.80 CYP1A2 (0.48) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL9903247 0.80 KIT (0.39) KITDDR1DDR2BRAF
SCHEMBL1991466 0.75 KIT (0.51) GRM5KITDDR1DDR2BRAF
SCHEMBL3346711 0.72 GRM5 (0.52) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL9903131 0.72 KIT (0.56) GRM5KITDDR1DDR2
SCHEMBL9902904 0.72 BRAF (0.46) KITDDR1DDR2BRAF
SCHEMBL1990213 0.71 KIT (0.46) KITDDR1DDR2BRAF
SCHEMBL9902753 0.71 KIT (0.46) KITDDR1DDR2BRAF
SCHEMBL9903364 0.70 GRM5 (0.62) GRM5KITDDR1DDR2
SCHEMBL9902452 0.70 CYP2A6 (0.49) KITDDR1DDR2BRAF

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 CYP1A2 3627/4885GRM5 1/4885KIT 4512/4885

“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.