SCHEMBL21719985

SCHEMBL21719985

COc1c(C)cnn1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD1 P21728 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21720613 0.79 SMN1; SMN2 (0.36) LMNASMN1; SMN2
SCHEMBL21720763 0.78 GAA (0.33) CYP1A2LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL21720779 0.78
SCHEMBL21718645 0.78
SCHEMBL21721150 0.78
SCHEMBL21719176 0.75 ABL1 (0.32)
SCHEMBL12960396 0.73 CYP1A2 (0.37) CYP17A1CYP1A2LMNASMN1; SMN2DRD1
SCHEMBL21863549 0.71
SCHEMBL23401263 0.70 CYP1A2 (0.35) CYP17A1CYP1A2SMN1; SMN2CYP3A4CYP2D6
SCHEMBL24275822 0.70 CYP1A2 (0.35) CYP17A1CYP1A2SMN1; SMN2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192722-A1 SALTS AND SOLID FORMS OF AN FGFR INHIBITOR AND PROCESSES OF PREPARING THEREOF INCYTE CORPORATION 2023-06-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CYP17A1 216/4885CYP1A2 6/4885LMNA 2672/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CYP17A1 216/4885CYP1A2 6/4885LMNA 2672/4885
US-20230192722-A1 SALTS AND SOLID FORMS OF AN FGFR INHIBITOR AND PROCESSES OF PREPARING THEREOF FGFR1, FGFR3, FGFR4 CYP17A1 1242/4885CYP1A2 1651/4885LMNA 4178/4885

“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.