SCHEMBL21245679

SCHEMBL21245679

CN(C)CC1CCN(c2ccc(N)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.40
MTOR P42345 14/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.38
ATR Q13535 2/20 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
SCHEMBL24681513 0.85 USP1 (0.42) HRH3SUV39H2
SCHEMBL1992323 0.82 CDK2 (0.43)
SCHEMBL3567979 0.81 MAPT (0.49) HRH3SUV39H2
SCHEMBL25085543 0.81 HRH3 (0.39) HRH3SUV39H2
SCHEMBL30664069 0.80 PIK3CA (0.51) PIK3CAMTOR
SCHEMBL21245620 0.80 PIK3CA (0.51) PIK3CAMTOR
SCHEMBL23634070 0.80 PIK3CA (0.43) PIK3CAMTORHRH3
SCHEMBL21267710 0.80 HRH3 (0.41) HRH3SUV39H2
SCHEMBL2824069 0.80 USP2 (0.46)
SCHEMBL13769033 0.78 CDK4 (0.43) PIK3CAMTOR

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 11 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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
WO-2022236253-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2022-11-10 WO disclosed
WO-2022236256-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2022-11-10 WO disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 CN disclosed
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 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 PIK3CA 187/4885MTOR 96/4885HRH3 2373/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PIK3CA 176/4885MTOR 94/4885HRH3 1963/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PIK3CA 176/4885MTOR 94/4885HRH3 1963/4885

“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.