SCHEMBL21718461

SCHEMBL21718461

Cc1nccc(C(C)(C)C)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 1/20 0.34
ALOX5AP P20292 7/20 0.33
FEN1 P39748 7/20 0.33
CYP2A6 P11509 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
AAK1 Q2M2I8 3/20 0.32

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
SCHEMBL15147449 0.83 CYP1A2 (0.37) ALDH1A1CYP2A6CCNB2CDK1CCNB1
SCHEMBL11954930 0.80 ALOX5AP (0.34) MEN1ALDH1A1KMT2ANPSR1RAB9A
SCHEMBL22543805 0.78 ALOX5AP (0.33) MEN1ALDH1A1KMT2ANPSR1RAB9A
SCHEMBL10715648 0.77 CYP2A6 (0.35) ALDH1A1CYP2A6
SCHEMBL18590248 0.77 ALOX5AP (0.39) ALOX5APFEN1AAK1
SCHEMBL11955164 0.77 AAK1 (0.34) MEN1ALDH1A1KMT2ANPSR1RAB9A
SCHEMBL3104097 0.77 MEN1 (0.34) MEN1ALDH1A1KMT2ANPSR1RAB9A
SCHEMBL2029268 0.76 CYP2A6 (0.34) CYP2A6
SCHEMBL30465794 0.76 CYP2A6 (0.34) CYP2A6
SCHEMBL24656678 0.75 ALOX5AP (0.39) RAB9AALOX5APFEN1

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 4 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
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
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 WO 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-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 MEN1 4566/4885ALDH1A1 1482/4885KMT2A 1247/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK MEN1 511/4885ALDH1A1 894/4885KMT2A 1335/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK MEN1 511/4885ALDH1A1 894/4885KMT2A 1335/4885

“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.