SCHEMBL23633780

SCHEMBL23633780

CCc1cnn2c(O)c(F)c(O)nc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.34
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
CSNK2A1 P68400 1/20 0.34
GSK3B P49841 1/20 0.32
CCNE1 P24864 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
SCHEMBL18863632 0.71 CSNK2A1 (0.44) CDK2CSNK2A1
SCHEMBL23152044 0.70 CDK2 (0.38) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL7446616 0.69 CDK2 (0.40) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL10044343 0.68 CDK2 (0.36) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL14194706 0.67 CDK2 (0.33) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL17781287 0.64 KDM4E (0.55) CDK2CCNA2
SCHEMBL7438391 0.62 CDK2 (0.40) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL5926222 0.61 CDK2 (0.41) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL18526195 0.61 CHEK1 (0.41) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL14050801 0.61 CDK2 (0.50) CDK2CHEK1CCNA2CCNA1CSNK2A1

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-11059827-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2021-07-13 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-11059827-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK2, NTRK3, NTRK1 CDK2 1703/4885CHEK1 1181/4885CCNA2 3541/4885

“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.