SCHEMBL20844147

SCHEMBL20844147

Cc1cc(C(C)(C)C)c(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 2/20 0.37
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 2/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGS2 P35354 1/20 0.30
SYK P43405 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
SCHEMBL16309053 0.89 UHRF1 (0.35) UHRF1CYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL2735691 0.83 UHRF1 (0.34) UHRF1CYP1A2CYP2A6SMN1; SMN2AAK1
SCHEMBL22624051 0.83 UHRF1 (0.34) UHRF1CYP1A2CYP2A6AAK1
SCHEMBL21719038 0.82 KDM4E (0.32) CYP1A2ALDH1A1SMN1; SMN2CA2KDM4E
SCHEMBL25787773 0.82 HPGD (0.37) UHRF1CYP1A2CYP2A6ALOX5APFEN1
SCHEMBL17563295 0.80 SYK (0.32) CYP1A2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL22624166 0.79 AAK1 (0.33) UHRF1CYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL18590260 0.78 ALOX5AP (0.42) CA2KDM4EALOX5APFEN1
SCHEMBL11955163 0.78 AAK1 (0.33) CYP1A2ALDH1A1SMN1; SMN2AAK1KDM4E
SCHEMBL22949614 0.78 UHRF1 (0.41) UHRF1CYP1A2CYP2A6ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP 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
WO-2019059161-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2019-03-28 WO 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 (4 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 UHRF1 2383/4885CYP1A2 3312/4885CYP2A6 4384/4885
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 UHRF1 2639/4885CYP1A2 2492/4885CYP2A6 3179/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK UHRF1 2137/4885CYP1A2 6/4885CYP2A6 42/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK UHRF1 2137/4885CYP1A2 6/4885CYP2A6 42/4885

“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.