SCHEMBL23353748

SCHEMBL23353748

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 5/20 0.35
▸ CDK2 P24941 5/20 0.35
▸ CDK1 P06493 3/20 0.35
▸ CCNB1 P14635 3/20 0.35
▸ CDK4 P11802 2/20 0.35
▸ CCND1 P24385 2/20 0.35
▸ CCND3 P30281 2/20 0.35
▸ CDK6 Q00534 2/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ KHK P50053 3/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ MET P08581 3/20 0.32
▸ EGFR P00533 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL23353547 0.94 POLB (0.40) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL23353700 0.83 GRM4 (0.33) POLB
SCHEMBL23353746 0.82 DGAT1 (0.36) POLB
SCHEMBL23353745 0.82 POLB (0.33) POLB
SCHEMBL31194349 0.81 MET (0.34) POLBKHKMETEGFRWNT1
SCHEMBL20393623 0.80 KHK (0.36) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL23351416 0.79 BRD4 (0.40) POLB
SCHEMBL23353561 0.77 POLB (0.40) POLB
SCHEMBL23353551 0.77 ALDH1A1 (0.34) POLBFGFR1TYRO3
SCHEMBL23353550 0.77 POLB (0.39) POLBTYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-13 — — 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 (1 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-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 CCNE1 417/4885CDK2 645/4885CDK1 613/4885

“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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