SCHEMBL21267716

SCHEMBL21267716

CCC(C)c1cc(N2CCNCC2)cc(CC(C)c2ccc(CN3CCNCC3)cn2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.36
▸ GPR4 P46093 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ DYRK2 Q92630 3/20 0.35
▸ LYN P07948 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ CCND1 P24385 3/20 0.34
▸ CDK4 P11802 3/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ CCND3 P30281 1/20 0.33
▸ AURKA O14965 1/20 0.33

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
SCHEMBL21267024 0.92 CDK4 (0.37) CXCR4GPR4HRH4DYRK2LYN
SCHEMBL21414369 0.83 CXCR4 (0.44) CXCR4CCND1CDK4CDK6
SCHEMBL21414334 0.74 CHRNB2 (0.53) HRH4CCND1CDK4OPRL1CDK6
SCHEMBL21414366 0.73 CXCR4 (0.45) CXCR4
SCHEMBL20203429 0.72 CXCR4 (0.47) CXCR4CCND1CDK4CCND3
SCHEMBL21414378 0.71 ALDH1A1 (0.49) CCND1CDK4CDK6
SCHEMBL21414385 0.70 LMNA (0.46) —
SCHEMBL18291648 0.68 CXCR4 (0.57) CXCR4CDK4CCND3
SCHEMBL21414381 0.68 HRH3 (0.47) —
SCHEMBL21414349 0.68 ALDH1A1 (0.50) —

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-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 — — US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 — — 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 (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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 CXCR4 1312/4885GPR4 2788/4885HRH4 2420/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CXCR4 1372/4885GPR4 2891/4885HRH4 2171/4885

“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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