SCHEMBL25085579

SCHEMBL25085579

CC(C)c1ccc(N2CCC(O)(CO)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
FLT3 P36888 1/20 0.37
HASPIN Q8TF76 1/20 0.37
PTPN11 Q06124 1/20 0.35
PANK3 Q9H999 2/20 0.34
SYK P43405 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
ESR1 P03372 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
RBP1 P09455 1/20 0.32
CDK4 P11802 3/20 0.32
CCND1 P24385 2/20 0.32

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
SCHEMBL23103155 0.87 PANK3 (0.34) PTPN11PANK3HRH3CHRNB2CHRNA4
SCHEMBL23102755 0.87 KCNH2 (0.39) KCNH2CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL23102752 0.87 KCNH2 (0.37) KCNH2CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL23103195 0.85 MEN1 (0.39) KCNH2CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL21267344 0.85 CDK4 (0.38) PTPN11PANK3SYKCHRNB2CHRNA4
SCHEMBL23108678 0.84 EGFR (0.41) KCNH2CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL23103196 0.83 SMN1; SMN2 (0.44) KCNH2CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL23108914 0.82 POLB (0.39) SYKPCSK9CDK4CCND1CDK6
SCHEMBL21267346 0.82 PIK3CA (0.42) KCNH2PTPN11SYKCHRNB2CHRNA4
SCHEMBL17660307 0.82 TRPV3 (0.36) SYKCHRNB2CHRNA4CHRNB4CHRNA3

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 KCNH2 4126/4885CYP2C8 1109/4885CYP2C9 2514/4885

“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.