SCHEMBL29326245

SCHEMBL29326245

Cc1nc(N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)nnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.38
IDH2 P48735 1/20 0.37
BTK Q06187 2/20 0.35
POLB P06746 1/20 0.35
USP30 Q70CQ3 1/20 0.34
CCNK O75909 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 1/20 0.33
CDK6 Q00534 1/20 0.33
ACACB O00763 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 1/20 0.33
EPHX2 P34913 1/20 0.33
ALK Q9UM73 2/20 0.33
TLR8 Q9NR97 1/20 0.33
GLS O94925 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
SCHEMBL29326240 0.89 BTK (0.36) IDH1IDH2BTKPOLBUSP30
SCHEMBL29325929 0.80 BTK (0.49) IDH1IDH2BTKUSP30HTT
SCHEMBL29326289 0.78 NLRP3 (0.42) IDH1IDH2MAPT
SCHEMBL30488538 0.78 BTK (0.50) IDH1BTKUSP30MEN1KMT2A
SCHEMBL29326041 0.78 BTK (0.50) IDH1BTKUSP30MEN1KMT2A
SCHEMBL25302818 0.78 BTK (0.50) IDH1BTKUSP30MEN1KMT2A
SCHEMBL25302816 0.78 BTK (0.50) IDH1BTKUSP30MEN1KMT2A
SCHEMBL31341798 0.78 CDK4 (0.39) IDH1BTKPOLBUSP30CCND3
SCHEMBL29325933 0.78 CDK4 (0.46) IDH1BTKPOLBUSP30CCND3
SCHEMBL29325970 0.76 CDK4 (0.37) POLBUSP30CCND3CDK6MEN1

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 IDH1 2485/4885IDH2 1590/4885BTK 2826/4885

“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.