SCHEMBL19863918

SCHEMBL19863918

CCCC(C)(C)c1ccnc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.42
CNR2 P34972 14/20 0.38
CNR1 P21554 12/20 0.38
AR P10275 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
DRD3 P35462 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL24836123 0.89 CNR2 (0.43) UHRF1CNR2CNR1ESR1ESR2
SCHEMBL19413079 0.86 UHRF1 (0.46) UHRF1DYRK1A
SCHEMBL22292156 0.86 CNR2 (0.51) CNR2CNR1
SCHEMBL22624137 0.85 UHRF1 (0.42) UHRF1ARESR1ESR2DYRK1A
SCHEMBL22623994 0.82 UHRF1 (0.39) UHRF1ARESR1ESR2DYRK1A
SCHEMBL22426547 0.82 DYRK1A (0.49) CNR2DYRK1A
SCHEMBL18431456 0.80 NOS2 (0.52) CNR2CNR1ARDYRK1A
SCHEMBL23879473 0.80 CNR2 (0.38) CNR2CNR1AR
SCHEMBL21719254 0.80 RECQL (0.39) CNR2CNR1ARDRD3
SCHEMBL21718459 0.80 AR (0.48) CNR2CNR1ARESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 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
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 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 (5 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 UHRF1 3496/4885CNR2 2585/4885CNR1 2818/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK UHRF1 2137/4885CNR2 2191/4885CNR1 1509/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 UHRF1 4274/4885CNR2 1102/4885CNR1 1119/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK UHRF1 2137/4885CNR2 2191/4885CNR1 1509/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB UHRF1 3809/4885CNR2 1055/4885CNR1 1123/4885

“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.