SCHEMBL2773643

SCHEMBL2773643

O=C(Cl)c1nccc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.41
NAPRT Q6XQN6 1/20 0.36
SMARCA2 P51531 2/20 0.33
SMARCA4 P51532 2/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
RECQL P46063 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL287227 0.83 KMO (0.58) KMONAPRT
SCHEMBL1206986 0.81 MAP4K4 (0.40) KMOSIRT6ALDH1A1LMNASMN1; SMN2
SCHEMBL8159378 0.81 SORD (0.44) KMOSMARCA2SMARCA4ALDH1A1SMN1; SMN2
SCHEMBL21173935 0.78 KMO (0.37) KMONAPRTKDM5AKDM4CALDH1A1
SCHEMBL30368390 0.78 KMO (0.37) KMONAPRTKDM5AKDM4CALDH1A1
SCHEMBL24087665 0.77 KMO (0.37) KMONAPRTALDH1A1
SCHEMBL27956903 0.77 KMO (0.36) KMOALDH1A1SMN1; SMN2
SCHEMBL18824676 0.76 ALDH1A1 (0.40) KMOALDH1A1LMNASMN1; SMN2
SCHEMBL282078 0.76 L3MBTL1 (0.38) KMOSMARCA2SMARCA4GAASMN1; SMN2
SCHEMBL31589417 0.76 P2RX7 (0.57) KMOKDM5AALDH1A1GAALMNA

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-4370512-A1 CD38 MODULATORS AND METHODS OF USE THEREOF Cytokinetics, Inc. (US) 2024-05-22 EP disclosed
CN-117813296-A CD38 modulators and methods of use thereof 赛特凯恩蒂克公司 2024-04-02 CN disclosed
WO-2023114977-A1 S1PR4 RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF TIAKI THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
WO-2023288195-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. (US) 2023-01-19 WO disclosed
CN-101372475-B Aromatic heterocyclic substituted diphenyl urea derivative and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2012-01-04 CN disclosed
EP-2183224-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS Merck Serono S.A. (CH) 2010-05-12 EP disclosed
CN-101372475-A Aromatic heterocyclic substituted diphenyl urea derivative and application thereof NANJING UNIVERSITY OF TECHNOLOGY (CN) 2009-02-25 CN disclosed
WO-2009019167-A1 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2009-02-12 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 (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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT KMO 3243/4885NAPRT 833/4885SMARCA2 3878/4885

“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.