SCHEMBL21718352

SCHEMBL21718352

CCC(C)(C)c1cccn2cnnc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.32
HSD11B1 P28845 1/20 0.32
EGFR P00533 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL6370745 0.83 CA2 (0.33) HSD11B1EGFRTSHR
SCHEMBL6468439 0.73 TP53 (0.40) EGFRALOX15TSHRCREBBP
SCHEMBL21718777 0.71 QPCT (0.42)
SCHEMBL21238481 0.70 MEN1 (0.34) ALOX15TSHRCREBBP
Hydrochloric Acid SCHEMBL21222902 0.68 POLB (0.33)
SCHEMBL26901801 0.68 TSHR (0.41) NR1I2HSD11B1ALOX15TSHRCREBBP
SCHEMBL22388550 0.68 HTT (0.44)
SCHEMBL19438287 0.67 POLB (0.35) ALOX15
SCHEMBL2661787 0.66 PARP15 (0.35) EGFRALOX15
SCHEMBL20689186 0.66 DHFR (0.36) ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 NR1I2 837/4885HSD11B1 318/4885EGFR 4139/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK NR1I2 837/4885HSD11B1 318/4885EGFR 4139/4885

“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.