SCHEMBL29326150

SCHEMBL29326150

Cc1nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL1B P01584 6/20 0.52
NLRP3 Q96P20 8/20 0.51
TRPV1 Q8NER1 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BTK Q06187 1/20 0.46
IDH1 O75874 1/20 0.42
MAPT P10636 1/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
USP30 Q70CQ3 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL29974698 1.00 IL1B (0.52) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL29326149 1.00 IL1B (0.52) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL29326121 0.95 IL1B (0.47) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL27182184 0.91 IL1B (0.49) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL29155911 0.90 TRPV1 (0.43) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL30684797 0.90 TRPV1 (0.43) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL27182188 0.89 IL1B (0.56) IL1BNLRP3KCNH2
SCHEMBL31057291 0.87 IL1B (0.70) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL29326142 0.86 IL1B (0.44) IL1BNLRP3HDAC4HDAC6MAPT
SCHEMBL29326123 0.86 NLRP3 (0.46) IL1BNLRP3HDAC4HDAC6IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347571-B1 TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER. HOFFMANN LA ROCHE (CH) 2026-04-22 EP disclosed
US-12421209-B2 Compounds HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
US-20250276958-A1 COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-09-04 US disclosed
US-20250197370-A1 NOVEL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-06-19 US disclosed
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
US-20240132471-A1 NOVEL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-04-25 US disclosed
EP-4347571-A1 TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2024-04-10 EP disclosed
EP-4345097-A1 SUBSTITUTED TRIAZINE COMPOUND Astellas Pharma Inc. (JP) 2024-04-03 EP disclosed
WO-2022253936-A1 TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER. F. HOFFMANN-LA ROCHE AG (CH) 2022-12-08 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 (5 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-12421209-B2 Compounds C5, RB1, RPS4X IL1B 4014/4885NLRP3 3643/4885TRPV1 2441/4885
US-20250276958-A1 COMPOUNDS C5, RB1, RPS4X IL1B 4014/4885NLRP3 3643/4885TRPV1 2441/4885
US-20250197370-A1 NOVEL COMPOUNDS RB1, CDK11B, RPS4X IL1B 3429/4885NLRP3 3053/4885TRPV1 2844/4885
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD IL1B 11/4885NLRP3 1/4885TRPV1 68/4885
US-20240132471-A1 NOVEL COMPOUNDS RB1, RPS4Y1, CDK11B IL1B 3239/4885NLRP3 3180/4885TRPV1 2728/4885

“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.