SCHEMBL2850682

SCHEMBL2850682

CN(C)CCNS(=O)(=O)c1cccc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.61
CYP19A1 P11511 1/20 0.57
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 1/20 0.51
CA2 P00918 3/20 0.51
PKM P14618 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47
SRC P12931 1/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
CA1 P00915 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL3978650 0.91 CA2 (0.58) PRMT1CYP19A1TSHRNPSR1KMT2A
SCHEMBL31174173 0.85 PRMT1 (0.73) PRMT1CYP19A1TSHRKMT2ACA2
SCHEMBL1565027 0.85 PRMT1 (0.73) PRMT1CYP19A1TSHRKMT2ACA2
SCHEMBL2848726 0.85 SIGMAR1 (0.58) PRMT1CYP19A1KMT2ACA2ALDH1A1
SCHEMBL12282399 0.83 KMT2A (0.76) TSHRNPSR1KMT2ACA2ALDH1A1
SCHEMBL1348562 0.83 ATM (0.62) TSHRNPSR1KMT2ACA2ALDH1A1
SCHEMBL12407051 0.82 TPSAB1 (0.53) PRMT1CYP19A1TSHRNPSR1KMT2A
Hydrochloric Acid SCHEMBL11401340 0.82 PRMT1 (0.58) PRMT1CYP19A1TSHRKMT2ACA2
Hydrochloric Acid SCHEMBL7966569 0.82 ATM (0.61) TSHRNPSR1KMT2ACA2ALDH1A1
SCHEMBL28022032 0.81 PRMT1 (0.68) PRMT1CYP19A1TSHRKMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed
CN-106674176-B 7-substituted-4-aryl coumarin compound and preparation method and application thereof 西安交通大学 2019-12-24 CN disclosed
EP-3019493-B1 MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2017-06-14 EP disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
EP-3019493-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 EP disclosed
WO-2015193229-A1 BET-PROTEIN INHIBITING 1,4-DIHYDROPYRIDO[3,4-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2015193229-A1 BET-PROTEIN INHIBITING 1,4-DIHYDROPYRIDO[3,4-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US disclosed
EP-1603884-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-14 EP disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-23 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 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-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BRD4, BRDT, BET1 PRMT1 233/4885CYP19A1 787/4885TSHR 4292/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 PRMT1 798/4885CYP19A1 2174/4885TSHR 412/4885
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 PRMT1 4533/4885CYP19A1 3550/4885TSHR 1103/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 PRMT1 2611/4885CYP19A1 4291/4885TSHR 3666/4885
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 PRMT1 4533/4885CYP19A1 3550/4885TSHR 1103/4885

“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.