SCHEMBL19727246

SCHEMBL19727246

CCCC(C)(C)c1cnc(NC(C)=O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.47
▸ CCNE1 P24864 12/20 0.47
▸ CCNE2 O96020 11/20 0.47
▸ CDK4 P11802 6/20 0.46
▸ CDK1 P06493 5/20 0.46
▸ CCND1 P24385 5/20 0.46
▸ CCNB2 O95067 4/20 0.46
▸ CCNB1 P14635 4/20 0.46
▸ CCNB3 Q8WWL7 4/20 0.46
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ CCND2 P30279 1/20 0.43
▸ CCND3 P30281 1/20 0.43
▸ FFAR2 O15552 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL179490 0.81 CCNE1 (0.52) CDK2CCNE1CCNE2CDK4CDK1
SCHEMBL20049878 0.81 CCNE1 (0.43) CDK2CCNE1CCNE2CDK4CDK1
SCHEMBL21389733 0.80 CCNE1 (0.49) CDK2CCNE1CCNE2CDK4CDK1
SCHEMBL21369612 0.75 CCNE1 (0.45) CDK2CCNE1CCNE2CDK4CDK1
SCHEMBL18135139 0.72 CDK2 (0.64) CDK2CCNE1CCNE2CDK4CDK1
SCHEMBL233711 0.71 CDK2 (0.60) CDK2CCNE1CCNE2CDK4CDK1
SCHEMBL21770026 0.71 CDK2 (0.53) CDK2CCNE1CCNE2CDK4CDK1
SCHEMBL20206550 0.71 HCAR2 (0.33) —
SCHEMBL19261385 0.70 CCND3 (0.43) CDK2CCNE1CCNE2CDK4CDK1
SCHEMBL13543136 0.69 SMN1; SMN2 (0.60) CDK2CCNE1CCNE2CDK4CDK1

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-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 — — 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-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CDK2 85/4885CCNE1 621/4885CCNE2 1281/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CDK2 85/4885CCNE1 621/4885CCNE2 1281/4885

“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.

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