SCHEMBL2650432

SCHEMBL2650432

CC(C)S(=O)(=O)Cc1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CYP19A1 P11511 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CCR2 P41597 4/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRMT1 Q99873 1/20 0.39
NAMPT P43490 1/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38

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
Hydrochloric Acid SCHEMBL13722507 0.98 MAOA (0.46) MAOAMAOBCYP19A1CA1CA2
SCHEMBL589307 0.81 MAOB (0.50) MAOAMAOBCYP19A1CA1CA2
SCHEMBL30279898 0.81 MAOB (0.50) MAOAMAOBCYP19A1CA1CA2
SCHEMBL17571925 0.80 ALDH1A1 (0.49) LMNAALDH1A1
SCHEMBL23779534 0.79 MAOB (0.52) MAOAMAOBCYP19A1CA1CA2
SCHEMBL29634429 0.79 MAOB (0.52) MAOAMAOBCYP19A1CA1CA2
SCHEMBL18673914 0.79 GABRA1 (0.37) LMNAALDH1A1TSHRHSD17B10
SCHEMBL20682262 0.79 PNMT (0.53) LMNATSHRCYP3A4RECQL
SCHEMBL20682264 0.79 ALDH1A1 (0.45) LMNAALDH1A1TSHRHSD17B10
SCHEMBL25820331 0.79 HDAC4 (0.41) CA1CA2CA9ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 US disclosed
EP-2699554-B1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER IP GMBH (DE) 2016-11-02 EP disclosed
EP-2699554-B1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER IP GMBH (DE) 2016-11-02 EP disclosed
EP-2909183-B1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP Bayer Pharma AG (DE) 2016-08-24 EP disclosed
EP-2755956-B1 2,4-DISUBSTITUTED 5-FLUORO-PYRIMIDINES AS SELECTIVE CDK9 INHIBTORS BAYER IP GMBH (DE) 2016-05-18 EP disclosed
EP-2755956-B1 2,4-DISUBSTITUTED 5-FLUORO-PYRIMIDINES AS SELECTIVE CDK9 INHIBTORS BAYER IP GMBH (DE) 2016-05-18 EP disclosed
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
US-20150259300-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-17 US disclosed
EP-2909183-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP Bayer Pharma Aktiengesellschaft (DE) 2015-08-26 EP disclosed
WO-2013037896-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 WO disclosed
WO-2012143399-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 EP disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 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 (6 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-20150259300-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP PAH, ABL1, OAT MAOA 150/4885MAOB 37/4885CYP19A1 579/4885
US-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR MAOA 4268/4885MAOB 4512/4885CYP19A1 1394/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT MAOA 4628/4885MAOB 4029/4885CYP19A1 3664/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR MAOA 4268/4885MAOB 4512/4885CYP19A1 1394/4885
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT MAOA 4635/4885MAOB 3908/4885CYP19A1 4074/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR MAOA 4268/4885MAOB 4512/4885CYP19A1 1394/4885

“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.