SCHEMBL9902452

SCHEMBL9902452

C(#Cc1cnc2ccnn2c1)c1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
KIT P10721 17/20 0.43
DDR1 Q08345 15/20 0.42
DDR2 Q16832 1/20 0.41
BRAF P15056 1/20 0.40

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
SCHEMBL1991466 0.80 KIT (0.51) KITDDR1DDR2BRAF
SCHEMBL9903867 0.78 KIT (0.42) KITDDR1DDR2BRAF
SCHEMBL9902904 0.76 BRAF (0.46) KITDDR1DDR2BRAF
SCHEMBL9903131 0.76 KIT (0.56) KITDDR1DDR2
SCHEMBL1990213 0.75 KIT (0.46) KITDDR1DDR2BRAF
SCHEMBL9902765 0.75 CYP2A6 (0.53) CYP2A6KITDDR1DDR2
SCHEMBL9902753 0.75 KIT (0.46) KITDDR1DDR2BRAF
SCHEMBL9903127 0.75 KIT (0.50) KITDDR1DDR2BRAF
SCHEMBL17080364 0.73 EGLN2 (0.41) KITDDR1DDR2BRAF
SCHEMBL1991829 0.73 KIT (0.40) 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 CYP2A6 3239/4885KIT 4512/4885DDR1 3651/4885

“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.