SCHEMBL29326834

SCHEMBL29326834

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 3/20 0.42
SYK P43405 12/20 0.40
CNR1 P21554 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 1/20 0.40
AURKB Q96GD4 1/20 0.38
NPC1 O15118 1/20 0.37
CCNT1 O60563 1/20 0.37
EGFR P00533 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
PRKCA P17252 1/20 0.37
EIF2AK2 P19525 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL29326836 0.89 SYK (0.41) SYKKCNH2AURKB
SCHEMBL26434542 0.88 NLRP3 (0.49) IL1BCNR1KCNH2NPC1
SCHEMBL26093102 0.88 NLRP3 (0.49) IL1BCNR1KCNH2NPC1
SCHEMBL30375553 0.88 NLRP3 (0.49) IL1BCNR1KCNH2NPC1
SCHEMBL29326805 0.84 NLRP3 (0.56) IL1BSYKKCNH2CDK1
SCHEMBL29975511 0.84 NLRP3 (0.56) IL1BSYKKCNH2CDK1
Hydrochloric Acid SCHEMBL29975257 0.83 NLRP3 (0.55) IL1BSYKKCNH2CDK1
Hydrochloric Acid SCHEMBL27182168 0.83 NLRP3 (0.55) IL1BSYKKCNH2CDK1
SCHEMBL29326833 0.82 IL1B (0.47) IL1BSYKKCNH2
SCHEMBL29326172 0.80 SYK (0.39) IL1BSYKCNR1KCNH2

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 IL1B 11/4885SYK 813/4885CNR1 1921/4885

“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.