SCHEMBL29326455

SCHEMBL29326455

Cc1nc(N[C@@H]2CCOC[C@H]2O)nnc1-c1ccc(Cl)cc1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.40
CCND1 P24385 17/20 0.40
CCND3 P30281 17/20 0.40
CDK6 Q00534 17/20 0.40
IL1B P01584 2/20 0.39
KCNH2 Q12809 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL29975874 1.00 CDK4 (0.40) CDK4CCND1CCND3CDK6IL1B
SCHEMBL29326535 0.90 CDK4 (0.38) CDK4CCND1CCND3CDK6KCNH2
SCHEMBL29326626 0.87 NLRP3 (0.39) CDK4CCND1CCND3CDK6KCNH2
SCHEMBL29326744 0.87 CDK4 (0.38) CDK4CCND1CCND3CDK6IL1B
SCHEMBL29326571 0.86 MAPK1 (0.37) CDK4CCND1CCND3CDK6KCNH2
SCHEMBL29326381 0.85 NLRP3 (0.53) CDK4CCND1CCND3CDK6IL1B
SCHEMBL30375553 0.85 NLRP3 (0.49) IL1BKCNH2NLRP3
SCHEMBL26434542 0.85 NLRP3 (0.49) IL1BKCNH2NLRP3
SCHEMBL26093102 0.85 NLRP3 (0.49) IL1BKCNH2NLRP3
SCHEMBL29326460 0.83 IL1B (0.44) CDK4CCND1CCND3CDK6IL1B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 US claimed
EP-4345097-A1 SUBSTITUTED TRIAZINE COMPOUND Astellas Pharma Inc. (JP) 2024-04-03 EP claimed
WO-2022230912-A1 SUBSTITUTED TRIAZINE COMPOUND アステラス製薬株式会社 2022-11-03 WO claimed
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 US disclosed
EP-4345097-A1 SUBSTITUTED TRIAZINE COMPOUND Astellas Pharma Inc. (JP) 2024-04-03 EP disclosed
WO-2022230912-A1 SUBSTITUTED TRIAZINE COMPOUND アステラス製薬株式会社 2022-11-03 WO 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 CDK4 2774/4885CCND1 4369/4885CCND3 4525/4885

“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.