SCHEMBL17125376

SCHEMBL17125376

COC(=O)c1ccc(-n2cc(-c3ccnc4ccccc34)cn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 19/20 0.67
▸ KCNH2 Q12809 2/20 0.67
▸ HTR2B P41595 1/20 0.67
▸ MTNR1A P48039 1/20 0.67
▸ CCNC P24863 1/20 0.48
▸ CDK8 P49336 1/20 0.48

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
SCHEMBL2710540 0.86 GRM4 (0.77) GRM4KCNH2HTR2BMTNR1A
SCHEMBL15942032 0.81 GRM4 (1.00) GRM4KCNH2HTR2BMTNR1A
SCHEMBL7859091 0.79 GRM4 (1.00) GRM4KCNH2HTR2BMTNR1A
SCHEMBL18292374 0.78 GRM4 (0.74) GRM4KCNH2HTR2BMTNR1A
SCHEMBL28199101 0.75 GRM4 (0.85) GRM4KCNH2HTR2BMTNR1A
SCHEMBL17125410 0.74 MAPT (0.69) —
SCHEMBL28270083 0.74 ALOX15 (0.52) —
SCHEMBL100615 0.72 GRM4 (0.62) GRM4CCNCCDK8
SCHEMBL17125373 0.71 MAPKAPK2 (0.51) —
SCHEMBL355762 0.70 GRM4 (0.65) GRM4KCNH2HTR2BMTNR1ACCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 — — US 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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL GRM4 3933/4885KCNH2 3279/4885HTR2B 4450/4885

“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.

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