SCHEMBL29326240

SCHEMBL29326240

Cc1nc(NC2CN(C(=O)OC(C)(C)C)CCC23CC3)nnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.36
NAMPT P43490 9/20 0.35
POLB P06746 1/20 0.35
IDH1 O75874 2/20 0.35
USP30 Q70CQ3 2/20 0.34
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
CYP2C9 P11712 1/20 0.34
IDH2 P48735 1/20 0.34
HTT P42858 1/20 0.33
ATM Q13315 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
SCHEMBL29326245 0.89 IDH1 (0.38) BTKPOLBIDH1USP30CCNK
SCHEMBL29325929 0.81 BTK (0.49) BTKIDH1USP30IDH2HTT
SCHEMBL29326041 0.79 BTK (0.50) BTKIDH1USP30
SCHEMBL30488538 0.79 BTK (0.50) BTKIDH1USP30
SCHEMBL25302818 0.79 BTK (0.50) BTKIDH1USP30
SCHEMBL25302816 0.79 BTK (0.50) BTKIDH1USP30
SCHEMBL31341798 0.78 CDK4 (0.39) BTKPOLBIDH1USP30CCND3
SCHEMBL29325933 0.78 CDK4 (0.46) BTKPOLBIDH1USP30CCND3
SCHEMBL29326283 0.77 NLRP3 (0.42) IDH1IDH2
SCHEMBL29325970 0.77 CDK4 (0.37) POLBUSP30CCND3CDK6HTT

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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD BTK 2826/4885NAMPT 602/4885POLB 4733/4885

“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.