SCHEMBL21267698

SCHEMBL21267698

CC(C)c1ccn(C2CCC(N(C)C)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.36
HRH3 Q9Y5N1 1/20 0.35
L3MBTL3 Q96JM7 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
SCHEMBL10141577 0.88 NLRP3 (0.31)
SCHEMBL10141576 0.82 SIGMAR1 (0.34)
SCHEMBL18250315 0.82 SIGMAR1 (0.37) IRAK4
SCHEMBL18250269 0.80 SIGMAR1 (0.39) IRAK4
SCHEMBL21267250 0.79 IRAK4 (0.35) IRAK4HRH3L3MBTL3
SCHEMBL23107815 0.78 FAAH (0.40) IRAK4
SCHEMBL12505515 0.78 INSR (0.36)
SCHEMBL24770508 0.75
SCHEMBL11914062 0.73 CCNT1 (0.35)
SCHEMBL15293673 0.73 HTR2A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
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 (3 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 IRAK4 805/4885HRH3 2373/4885L3MBTL3 3021/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 IRAK4 1475/4885HRH3 1963/4885L3MBTL3 1705/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 IRAK4 1475/4885HRH3 1963/4885L3MBTL3 1705/4885

“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.