SCHEMBL15464302

SCHEMBL15464302

COCCS(=O)(=O)Cc1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CYP19A1 P11511 2/20 0.40
ABHD6 Q9BV23 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CCR2 P41597 4/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP2C19 P33261 1/20 0.36
PRMT1 Q99873 1/20 0.36

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
SCHEMBL7718125 0.84 ALDH1A1 (0.41) MAOAMAOBCA1CA2CA9
SCHEMBL1819992 0.83 MAOA (0.43) MAOAMAOBCA1CA2CA9
SCHEMBL29634429 0.82 MAOB (0.52) MAOAMAOBCA1CA2CA9
SCHEMBL23779534 0.82 MAOB (0.52) MAOAMAOBCA1CA2CA9
SCHEMBL13745303 0.81 MAOA (0.47) MAOAMAOBCA1CA2CA9
SCHEMBL4428520 0.80 ALDH1A1 (0.43) CYP19A1LMNAALDH1A1CCR2PRMT1
SCHEMBL3001729 0.80 MAOA (0.43) MAOAMAOBCA1CA2CA9
SCHEMBL26640002 0.80 CYP2C19 (0.46) CA1CA2CA9CYP19A1LMNA
SCHEMBL26025885 0.79 POLB (0.47) CA1CA2CA9ALDH1A1F2
SCHEMBL2986910 0.78 ALDH1A1 (0.50) CYP19A1LMNAALDH1A1CCR2CYP2C19

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-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
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
US-9108926-B2 Disubstituted 5-fluoro-pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-18 US disclosed
US-8916557-B2 Substituted 4-Aryl-N-phenyl-1,3,5-triazin-2-amines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-23 US disclosed
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US disclosed
WO-2014060376-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-04-24 WO disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 US 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 (3 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-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES PAH, NAT1, H1-5 MAOA 49/4885MAOB 19/4885CA1 4869/4885
US-20150259300-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP PAH, ABL1, OAT MAOA 150/4885MAOB 37/4885CA1 4854/4885
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES DPYD, DHFR, TYMP MAOA 663/4885MAOB 177/4885CA1 4862/4885

“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.