SCHEMBL11092586

SCHEMBL11092586

CC(C)(C)c1ncncc1Cl

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
DGAT1 O75907 1/20 0.34
CDC25B P30305 1/20 0.31
RPS6KA5 O75582 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
SCHEMBL28014496 0.77 CYP19A1 (0.35) CYP19A1CDC25BRPS6KA5
SCHEMBL1106088 0.74 DGAT1 (0.35) CYP19A1DGAT1
SCHEMBL2602384 0.74 DGAT1 (0.35) DGAT1
SCHEMBL803486 0.73 DGAT1 (0.34) CYP19A1DGAT1
SCHEMBL21719169 0.73 DGAT1 (0.34) DGAT1
SCHEMBL22096850 0.73 DGAT1 (0.42) CYP19A1DGAT1
SCHEMBL31505123 0.73 HPGD (0.34) DGAT1
SCHEMBL8183467 0.73 HPGD (0.34) DGAT1
SCHEMBL31505058 0.73 DGAT1 (0.34) DGAT1
SCHEMBL21719287 0.72 CNR2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4186895-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK Medicines Inc. (CN) 2023-05-31 EP disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-4474958-A 2-Alkyl-5-halopyrimidines THE DOW CHEMICAL COMPANY (US) 1984-10-02 US disclosed
EP-0097451-A1 2-Alkyl-5-pyrimidines THE DOW CHEMICAL COMPANY (US) 1984-01-04 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 (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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CYP19A1 88/4885DGAT1 4733/4885CDC25B 1061/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CYP19A1 88/4885DGAT1 4733/4885CDC25B 1061/4885

“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.