SCHEMBL4224734

SCHEMBL4224734

COC(=O)c1nc(S(C)(=O)=O)ncc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.72
▸ TP53 P04637 12/20 0.72
▸ TLR9 Q9NR96 8/20 0.72
▸ NPC1 O15118 8/20 0.72
▸ ALDH1A1 P00352 4/20 0.72
▸ NPSR1 Q6W5P4 4/20 0.72
▸ HTT P42858 3/20 0.72
▸ XBP1 P17861 3/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ RAB9A P51151 6/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ AGTR1 P30556 2/20 0.54
▸ LMNA P02545 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ MITF O75030 2/20 0.53
▸ S1PR4 O95977 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ PAX8 Q06710 1/20 0.53

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
SCHEMBL2475444 0.82 TP53 (0.64) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL28283383 0.81 TLR9 (0.49) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL15286672 0.81 MAPT (0.62) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL22366819 0.78 NPSR1 (0.48) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL23879945 0.78 MAPT (0.59) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL23879946 0.78 MAPT (0.68) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL26287659 0.77 NPSR1 (0.47) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL11288067 0.76 NPSR1 (0.45) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL28223670 0.76 NPSR1 (0.45) MAPTTP53TLR9NPC1ALDH1A1
SCHEMBL29037763 0.75 TP53 (0.69) MAPTTP53TLR9NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 — — CN disclosed
US-20110118126-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. 2011-05-19 — — US disclosed
US-20110118126-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. 2011-05-19 — — US disclosed
WO-2009120795-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-01 — — WO disclosed
US-20090227612-A1 Aminopyrimidine Derivatives Inhibiting Protein Kinase Activity, Method For The Preparation Thereof And Pharmaceutical Composition Containing Same CRYSTALGENOMICS, INC. (KP) 2009-09-10 — — US disclosed
CN-101346356-A Aminopyrimidine derivatives inhibiting protein kinase activity, method for the preparation thereof and pharmaceutical composition containing same CRYSTALGENOMICS INC (KR) 2009-01-14 — — CN disclosed
EP-1973885-A1 AMINOPYRIMIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-01 — — EP disclosed
WO-2007073117-A1 AMINOPYRIMIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-06-28 — — WO disclosed
EP-0033195-B1 PYRIMIDINE-2-SULPHIDES AND THEIR S-OXIDES FOR USE IN MEDICINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THEIR PREPARATION AND SUCH COMPOUNDS WHEN NOVEL PER SE NYEGAARD & CO. A/S (NO) 1985-12-04 — — EP disclosed
US-4423047-A INHIBITING ABNORMAL CELL PROLIFERATION NYEGAARD & CO. A/S (NO) 1983-12-27 — — US disclosed
EP-0033195-A1 Pyrimidine-2-sulphides and their S-oxides for use in medicine, pharmaceutical compositions containing them, processes for their preparation and such compounds when novel per se NYEGAARD & CO. A/S (NO) 1981-08-05 — — EP 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-20090227612-A1 Aminopyrimidine Derivatives Inhibiting Protein Kinase Activity, Method For The Preparation Thereof And Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K1 MAPT 98/4885TP53 322/4885TLR9 3662/4885

“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.

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