SCHEMBL21267239

SCHEMBL21267239

COc1cc(C(C)C)ccc1N1CCC(N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.41
TNIK Q9UKE5 1/20 0.40
ACACB O00763 2/20 0.40
ALDH1A1 P00352 3/20 0.40
ALDH1A3 P47895 1/20 0.40
KCNH2 Q12809 2/20 0.39
SCN5A Q14524 1/20 0.39
EGFR P00533 1/20 0.38
ALK Q9UM73 1/20 0.38
WEE1 P30291 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
FGFR3 P22607 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL26484665 0.95 ALDH1A1 (0.45) CCR4TNIKACACBALDH1A1ALDH1A3
SCHEMBL21267235 0.84 IRAK4 (0.34) TNIKIRAK4
SCHEMBL26484763 0.84 ALDH1A1 (0.43) ACACBALDH1A1ALDH1A3RECQLNPSR1
SCHEMBL12127781 0.83 PIK3CD (0.41) TNIKACACBKCNH2IRAK4CYP2D6
SCHEMBL21267233 0.83 ALDH1A1 (0.43) ALDH1A1KCNH2WEE1SUV39H2IRAK4
SCHEMBL24123770 0.83 ALDH1A1 (0.41) ACACBALDH1A1ALDH1A3RECQLNPSR1
SCHEMBL20884898 0.83 IRAK4 (0.38) ACACBALDH1A1ALDH1A3KCNH2EGFR
SCHEMBL22547420 0.83 KCNH2 (0.48) CCR4TNIKALDH1A1ALDH1A3KCNH2
SCHEMBL21266977 0.83 IRAK4 (0.38) ALDH1A1KCNH2IRAK4CYP2D6HRH1
SCHEMBL12354671 0.83 ACACB (0.43) ACACBALDH1A1ALDH1A3RECQLNPSR1

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 5 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-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 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 (5 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 CCR4 3329/4885TNIK 328/4885ACACB 2197/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CCR4 3251/4885TNIK 442/4885ACACB 2690/4885
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CCR4 3522/4885TNIK 1171/4885ACACB 2616/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL CCR4 1966/4885TNIK 1014/4885ACACB 1567/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CCR4 3251/4885TNIK 442/4885ACACB 2690/4885

“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.