SCHEMBL23507965

SCHEMBL23507965

CCn1c(=O)ncc2ccc(C(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.43
▸ CDK4 P11802 3/20 0.40
▸ CCND1 P24385 3/20 0.40
▸ CCND2 P30279 3/20 0.40
▸ CCND3 P30281 3/20 0.40
▸ MAOB P27338 1/20 0.39
▸ CASR P41180 9/20 0.39
▸ RORA P35398 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ RORB Q92753 1/20 0.36
▸ LYN P07948 1/20 0.35
▸ SRC P12931 1/20 0.35

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
SCHEMBL17807791 0.80 CASR (0.45) MAOBCASR
SCHEMBL18898516 0.78 MAOB (0.34) BTKCDK4CCND1CCND2CCND3
SCHEMBL4795814 0.74 ALDH1A1 (0.46) BTKCDK4CCND1CCND2CCND3
SCHEMBL12125239 0.72 HTR2A (0.47) —
SCHEMBL10080931 0.69 NOTUM (0.42) —
SCHEMBL22538172 0.69 BTK (0.64) BTKCDK4CCND1CCND2CCND3
SCHEMBL19546070 0.69 RORA (0.40) MAOBRORARORCRORB
SCHEMBL22822495 0.68 ALDH1A1 (0.45) MAOBRORARORCRORB
SCHEMBL25752342 0.68 ALDH1A1 (0.50) BTKMAOBCASRRORARORC
SCHEMBL22419361 0.68 CASR (0.44) BTKCDK4CCND1CCND2CCND3

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-20210177855-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2021-06-17 — — 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-20210177855-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BTK 1273/4885CDK4 238/4885CCND1 1185/4885

“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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