SCHEMBL7035347

SCHEMBL7035347

CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
RAB9A P51151 1/20 0.58
CA2 P00918 5/20 0.56
CA1 P00915 4/20 0.56
MAPT P10636 3/20 0.56
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
GAA P10253 2/20 0.56
CA3 P07451 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA13 Q8N1Q1 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56

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
SCHEMBL1667635 0.91 CA2 (0.68) TSHRNPSR1ALDH1A1MEN1KMT2A
SCHEMBL10683290 0.85 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ARAB9ACA2
SCHEMBL1674065 0.85 SIGMAR1 (0.68) ALDH1A1MEN1KMT2ARAB9ACA2
Hydrochloric Acid SCHEMBL10406062 0.85 ALDH1A1 (0.56) TSHRNPSR1ALDH1A1MEN1KMT2A
SCHEMBL4633730 0.84 KMT2A (0.76) TSHRNPSR1ALDH1A1MEN1KMT2A
SCHEMBL7042471 0.84 SIGMAR1 (0.55) ALDH1A1MEN1KMT2ARAB9ACA2
Hydrochloric Acid SCHEMBL10495986 0.83 KMT2A (0.74) TSHRNPSR1ALDH1A1MEN1KMT2A
SCHEMBL598734 0.83 MEN1 (0.55) ALDH1A1MEN1KMT2ARAB9ACA2
SCHEMBL3685056 0.82 MEN1 (0.62) ALDH1A1MEN1KMT2ARAB9ACA2
SCHEMBL7038862 0.81 MEN1 (0.53) ALDH1A1MEN1KMT2ARAB9ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 CN disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
EP-1052248-B1 Process for the preparation of aqueous solutions of diazonium salts CLARIANT GMBH (DE) 2003-03-19 EP disclosed
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed
EP-1052248-A1 Process for the preparation of aqueous solutions of diazonium salts Clariant GmbH (DE) 2000-11-15 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 (4 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK TSHR 2056/4885NPSR1 4634/4885ALDH1A1 3013/4885
US-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 TSHR 3098/4885NPSR1 4603/4885ALDH1A1 2534/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 TSHR 3562/4885NPSR1 4775/4885ALDH1A1 2992/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 TSHR 3562/4885NPSR1 4775/4885ALDH1A1 2992/4885

“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.