SCHEMBL509468

SCHEMBL509468

COc1ccc(Br)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NQO2 P16083 3/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
CLK1 P49759 2/20 0.34
FYN P06241 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL10187309 0.78 ALDH1A1 (0.39) TDP1NPC1ALDH1A1RAB9ATLR8
SCHEMBL31716073 0.78 KDM4E (0.46) POLBKMT2AL3MBTL1ALDH1A1CLK1
SCHEMBL30207735 0.77 CYP1A2 (0.41) NNMTSIRT2SIRT1POLBTDP1
SCHEMBL2969903 0.77 CYP1A2 (0.41) NNMTSIRT2SIRT1POLBTDP1
SCHEMBL126903 0.77 NNMT (0.41) NNMTSIRT2SIRT1POLBTDP1
SCHEMBL29424844 0.77 NNMT (0.41) NNMTSIRT2SIRT1POLBTDP1
SCHEMBL4710517 0.76 HSD17B10 (0.33) NNMTPOLBCYP1A2KMT2ACLK2
Hydrochloric Acid SCHEMBL3736737 0.76 NNMT (0.40) NNMTSIRT2SIRT1POLBTDP1
SCHEMBL30884721 0.76 TLR8 (0.46) NNMTSIRT2SIRT1POLBTDP1
Hydrochloric Acid SCHEMBL30078498 0.76 NNMT (0.40) NNMTSIRT2SIRT1POLBTDP1

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators GENENTECH, INC. (US) 2026-05-05 US disclosed
US-20250243196-A1 CITRON KINASE INHIBITORS THE CLEVELAND CLINIC FOUNDATION 2025-07-31 US disclosed
CN-115867548-B RIP1K inhibitors 里格尔药品股份有限公司 2025-03-11 CN disclosed
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
US-20230227469-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-07-20 US disclosed
US-20230227469-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-07-20 US disclosed
US-20230227469-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-07-20 US disclosed
US-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2023-05-25 US disclosed
WO-2010069322-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2010-06-24 WO disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-1436292-B1 5-METHOXY-8-ARYL-¬1,2,4|TRIAZOLO¬1,5-A|PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-08-30 EP disclosed
EP-1436292-A1 5-METHOXY-8-ARYL-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP disclosed
US-6693116-B2 8-PHENYL-(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-YL)-BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2004-02-17 US disclosed
US-20030134873-A1 Adenosine receptor ligands F. HOFFMANN-LA ROCHE AG (CH) 2003-07-17 US disclosed
WO-2003031445-A1 5-METHOXY-8-ARYL-[1,2,4] TRIAZOLO [1,5-A] PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-04-17 WO disclosed
WO-2003031445-A1 5-METHOXY-8-ARYL-[1,2,4] TRIAZOLO [1,5-A] PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-04-17 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 (7 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-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS NLRP3, NLRP1, PYCARD NNMT 821/4885SIRT2 326/4885SIRT1 107/4885
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A NNMT 3038/4885SIRT2 1187/4885SIRT1 684/4885
US-12043629-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 NNMT 2034/4885SIRT2 2865/4885SIRT1 1279/4885
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators NLRP3, NLRP1, PYCARD NNMT 2879/4885SIRT2 1082/4885SIRT1 872/4885
US-20250243196-A1 CITRON KINASE INHIBITORS CHEK2, CILK1, DCK NNMT 1168/4885SIRT2 1362/4885SIRT1 1804/4885
US-20030134873-A1 Adenosine receptor ligands ADORA1, ADORA2A, ADORA3 NNMT 2406/4885SIRT2 3370/4885SIRT1 3315/4885
US-20230227469-A1 RIP1K INHIBITORS RIPK1, RIPK2, RIPK3 NNMT 2034/4885SIRT2 2865/4885SIRT1 1279/4885

“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.