SCHEMBL25085643

SCHEMBL25085643

CC(C)c1ccc(N2CCC(N(C)C)CC2)c(N(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ CHIT1 Q13231 1/20 0.34
▸ CHIA Q9BZP6 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ C5AR1 P21730 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ CDK6 Q00534 2/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNH P51946 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
SCHEMBL21267233 0.84 ALDH1A1 (0.43) IRAK4HTR2AHTR2CPDCD1CD274
SCHEMBL12127781 0.84 PIK3CD (0.41) IRAK4HTR2AHTR2CPIK3CDCSF1R
SCHEMBL20884898 0.84 IRAK4 (0.38) IRAK4HTR2AHTR2CPDCD1CD274
SCHEMBL21266977 0.84 IRAK4 (0.38) IRAK4HTR2AHTR2CPDCD1CD274
SCHEMBL14200311 0.82 CRHR1 (0.39) CRHR1KDM4EALDH1A1CYP2D6
SCHEMBL21266974 0.82 IRAK4 (0.37) IRAK4HTR2AHTR2CPDCD1CD274
SCHEMBL21267693 0.82 L3MBTL3 (0.37) IRAK4HTR2AHTR2CPDCD1CD274
SCHEMBL21267239 0.82 CCR4 (0.41) IRAK4ALDH1A1CYP2D6HRH1KCNH2
SCHEMBL20883751 0.81 HTR3A (0.41) HTR2AHTR6
SCHEMBL24632954 0.81 KCNH2 (0.39) IRAK4HTR2AHTR2CPDCD1CD274

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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 — — 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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 IRAK4 1475/4885HTR2A 3609/4885HTR2C 2608/4885

“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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