SCHEMBL25085585

SCHEMBL25085585

CCc1ccc(N2CCNC(C)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.48
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CDK4 P11802 11/20 0.41
CDK6 Q00534 4/20 0.41
MAPT P10636 1/20 0.41
CCND1 P24385 3/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
BCL2A1 Q16548 1/20 0.38

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
SCHEMBL20038373 0.82 CDK4 (0.41) KHKADRA2AADRA2BADRA2CCDK4
SCHEMBL12147196 0.81 CHRNB2 (0.58) CHRNB2CHRNA4
SCHEMBL18479402 0.80 KHK (0.48) KHKADRA2AADRA2BADRA2CCDK4
SCHEMBL31045828 0.79 KHK (0.47) KHKADRA2AADRA2BADRA2CCDK4
SCHEMBL22414247 0.79 CHRNB2 (0.47) KHKADRA2AADRA2BADRA2CCDK4
SCHEMBL25949375 0.79 CHRNB2 (0.47) KHKADRA2AADRA2BADRA2CCDK4
SCHEMBL2819513 0.79 CHRNB2 (0.47) KHKADRA2AADRA2BADRA2CCDK4
SCHEMBL24451824 0.78 KHK (0.52) KHKADRA2AADRA2BADRA2CMAPT
SCHEMBL26418055 0.78 KHK (0.52) KHKADRA2AADRA2BADRA2CMAPT
SCHEMBL24478128 0.78 KHK (0.52) KHKADRA2AADRA2BADRA2CMAPT

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 KHK 546/4885ADRA2A 4844/4885ADRA2B 4824/4885

“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.