SCHEMBL26008124

SCHEMBL26008124

CCC(C)(CF)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1(C)CCC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 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
SCHEMBL21354617 0.95 MAP3K5 (0.30) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL18779252 0.89 MAP3K5 (0.32) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL18779175 0.89 KCNQ2 (0.35) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL18791920 0.86 MAP3K5 (0.30) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL18779220 0.85 ECE1 (0.33) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL30315571 0.85 ECE1 (0.33) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL18779217 0.85 MAP3K5 (0.33) CCNT1CDK4CCNA2CCND1CDK2
SCHEMBL18791658 0.84 ACSS2 (0.35)
SCHEMBL20111237 0.84 ACSS2 (0.35)
SCHEMBL18791922 0.83

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-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 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 (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-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 ALDH1A1 3093/4885CCNT1 3713/4885CDK4 2658/4885

“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.