SCHEMBL29326134

SCHEMBL29326134

COc1cc(C(F)(F)F)ccc1-c1nnc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)nc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
RORC P51449 2/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.39
ROCK2 O75116 1/20 0.39
CRHR1 P34998 1/20 0.38
HCRTR1 O43613 7/20 0.38
ALK Q9UM73 2/20 0.37
VNN1 O95497 1/20 0.37
HCRTR2 O43614 3/20 0.37
DNMT3A Q9Y6K1 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
SCHEMBL29326138 0.91 TRPV1 (0.44) TRPV1HCRTR1VNN1HCRTR2
SCHEMBL27182175 0.91 CRHR1 (0.40) RORCROCK2CRHR1HCRTR1VNN1
SCHEMBL27182181 0.81 NLRP3 (0.45) HCRTR1VNN1HCRTR2
SCHEMBL29326158 0.80 IL1B (0.41) TRPV1HCRTR1HCRTR2
SCHEMBL30837966 0.78 TRPV1 (0.48) TRPV1HCRTR1VNN1HCRTR2
SCHEMBL29326142 0.78 IL1B (0.44)
SCHEMBL27182190 0.75 CRHR1 (0.44) CRHR1
SCHEMBL29326010 0.75 ALDH1A1 (0.41) TRPV1
SCHEMBL29131855 0.75 IL1B (0.43) TRPV1HCRTR1VNN1HCRTR2
SCHEMBL29131858 0.75 IL1B (0.43) TRPV1HCRTR1VNN1HCRTR2

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 TRPV1 68/4885RORC 315/4885JAK2 1491/4885

“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.