SCHEMBL21720008

SCHEMBL21720008

Cc1cc(C(C)(C)C)sc1Br

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.31
POLB P06746 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
SCHEMBL12731554 0.78 GSK3B (0.33) PDPK1
SCHEMBL21721605 0.76 MRGPRX1 (0.33) PDPK1
SCHEMBL4368952 0.76 CYP1A2 (0.35)
SCHEMBL10123652 0.75 KDM4E (0.38) PDPK1POLB
SCHEMBL21721269 0.74 CHEK1 (0.31) PDPK1
SCHEMBL21719966 0.74 MAPK14 (0.30) PDPK1
SCHEMBL13400736 0.73 PDPK1 (0.32) PDPK1POLB
SCHEMBL10058091 0.71 DAO (0.42) PDPK1POLB
SCHEMBL21721212 0.71 PDPK1 (0.31) PDPK1POLB
SCHEMBL21721618 0.71 PDPK1 (0.31) PDPK1POLB

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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF PDPK1 111/4885POLB 679/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK PDPK1 707/4885POLB 4045/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK PDPK1 707/4885POLB 4045/4885

“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.