SCHEMBL17808311

SCHEMBL17808311

CC(C)(C)c1cc(C(C)(C)C#N)ncn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.32
▸ UGT1A4 P22310 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ CHRNA7 P36544 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PRKCQ Q04759 1/20 0.30
▸ PRKCD Q05655 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL278866 0.82 CA2 (0.37) —
SCHEMBL16454359 0.82 CYP19A1 (0.31) CYP19A1UGT1A4PDE4DCHRNA7
SCHEMBL16447062 0.80 AAK1 (0.32) CYP19A1UGT1A4PDE4DCHRNA7
SCHEMBL18699160 0.77 CYP3A4 (0.31) —
SCHEMBL31276010 0.77 HDAC8 (0.31) —
SCHEMBL19190828 0.77 CYP1A2 (0.37) —
SCHEMBL17816266 0.75 KMO (0.39) —
SCHEMBL17816269 0.73 CA2 (0.41) —
SCHEMBL10197318 0.71 CA2 (0.56) —
SCHEMBL12553865 0.71 CA2 (0.40) —

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
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 — — US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 — — US disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 — — US disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 — — US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 — — US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 — — 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 (2 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 CYP19A1 53/4885UGT1A4 1214/4885PDE4D 1803/4885
US-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 CYP19A1 53/4885UGT1A4 1214/4885PDE4D 1803/4885

“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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