SCHEMBL20127042

SCHEMBL20127042

CC(C)(C)NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-n2ccnc2C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.41
P2RY14 Q15391 3/20 0.41
BTK Q06187 5/20 0.39
ADORA3 P0DMS8 1/20 0.39
PDE2A O00408 1/20 0.38
CNR2 P34972 1/20 0.37
KDR P35968 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
SCHEMBL18389517 0.91 HPGDS (0.39) MCHR1ADORA3CNR2KDR
SCHEMBL20127041 0.89 CNR1 (0.41) MCHR1ADORA3CNR2KDR
SCHEMBL21003841 0.87 KDR (0.37) BTKCNR2KDR
SCHEMBL20127047 0.85 KDM4E (0.44) MCHR1P2RY14ADORA3
SCHEMBL18389397 0.85 P2RY14 (0.42) MCHR1P2RY14ADORA3
SCHEMBL18389428 0.84 P2RY14 (0.42) MCHR1P2RY14ADORA3
SCHEMBL21004118 0.84 KDR (0.36) BTKADORA3KDR
SCHEMBL18389461 0.84 KDR (0.38) BTKCNR2KDR
SCHEMBL18389516 0.83 P2RY14 (0.41) MCHR1P2RY14ADORA3
SCHEMBL18389321 0.81 KDR (0.37) MCHR1BTKADORA3CNR2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709311-B 2-phenyl-6-imidazolyl-pyridine-4-carboxamide derivatives and their use as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2020-09-25 CN claimed
EP-3322699-B1 2-PHENYL-6-IMIDAZOLYL-PYRIDINE-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-15 EP claimed
CN-107709311-B 2-phenyl-6-imidazolyl-pyridine-4-carboxamide derivatives and their use as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2020-09-25 CN disclosed
EP-3322699-B1 2-PHENYL-6-IMIDAZOLYL-PYRIDINE-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-15 EP disclosed
US-20180125823-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-10 US disclosed
US-20180125823-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-10 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-20180125823-A1 IMIDAZOLE DERIVATIVES OXTR, DRD3, MC3R MCHR1 36/4885P2RY14 3542/4885BTK 1245/4885

“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.