SCHEMBL3674155

SCHEMBL3674155

CCOC(=O)c1cn[c]c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 2/20 0.40

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
SCHEMBL4927199 0.83 CYP2C9 (0.54) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL1032198 0.81 ATM (0.47) CA12CA1CA2CA7CA9
SCHEMBL4925890 0.81 CYP2C9 (0.51) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL1815817 0.78 CA12 (0.58) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL4926896 0.75 CA5A (0.35) LMNACYP1A2CYP3A4MAOAKMT2A
SCHEMBL3453344 0.75 CYP2C9 (0.51) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL336221 0.73 CYP2C19 (0.68) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL5619684 0.73 CYP2C9 (0.54) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL3717205 0.73 HCAR2 (0.48) LMNAKMT2AALDH1A1KDM4EMEN1
SCHEMBL277284 0.73 CYP2C19 (0.86) CYP2C9CYP2C19CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US disclosed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 US disclosed
WO-2010092342-A1 ORGANOSILICON COMPOUNDS AND THEIR USE AS THE MODULATORS OF THE TRPV1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 WO disclosed
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (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-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 CYP2C9 653/4885CYP2C19 440/4885CA12 4872/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS CYP2C9 1207/4885CYP2C19 1654/4885CA12 1670/4885
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi CYP8B1, CBR3, HDHD5 CYP2C9 568/4885CYP2C19 831/4885CA12 4755/4885

“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.