SCHEMBL197009

SCHEMBL197009

Brc1ccc2nc(Br)cnc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.47
HTT P42858 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.42
BACE1 P56817 2/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
BIRC5 O15392 1/20 0.37
ABL1 P00519 1/20 0.37
RET P07949 1/20 0.37
KDR P35968 1/20 0.37
CDK7 P50613 1/20 0.37
CDK5 Q00535 1/20 0.37
PRKAA1 Q13131 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PTGES O14684 2/20 0.36
NOS1 P29475 2/20 0.35
METAP2 P50579 2/20 0.35

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
SCHEMBL31634338 1.00 PABPC1 (0.47) PABPC1HTTCYP1A2CYP2C19MAPK1
SCHEMBL26919701 0.91 HTT (0.44) PABPC1HTTCYP1A2CYP2C19MAPK1
SCHEMBL1128647 0.83 PABPC1 (0.44) PABPC1HTTCYP1A2CYP2C19BACE1
SCHEMBL14330664 0.79 NQO2 (0.50) CYP1A2MAPK1ABL1RETKDR
SCHEMBL780275 0.79 ALDH1A1 (0.52) PABPC1HTTCYP1A2CYP2C19BACE1
SCHEMBL1258626 0.79 PABPC1 (0.44) PABPC1HTTCYP1A2CYP2C19BACE1
SCHEMBL16671125 0.79 PABPC1 (0.44) PABPC1HTTCYP1A2CYP2C19BACE1
SCHEMBL9427593 0.79 TLR9 (0.54) HTTMAPK1KDRCSNK2A1DYRK1A
SCHEMBL1598483 0.79 BACE1 (0.57) PABPC1HTTCYP1A2CYP2C19BACE1
SCHEMBL1641255 0.79 PABPC1 (0.44) PABPC1HTTCYP1A2CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723731-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS INC (US) 2017-10-25 EP disclosed
US-8940735-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8940735-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8883797-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8883797-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20130224624-A1 PROTON EXCHANGE MEMBRANES RENO (US) 2013-08-29 US disclosed
US-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-10 US disclosed
US-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-10 US disclosed
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
CN-101827854-A Transition metal complex and method for producing conjugated aromatic compound using same SUMITOMO CHEMICAL CO 2010-09-08 CN disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
CN-101772508-A Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL CO 2010-07-07 CN disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-20090326188-A1 Method for producing polyarylene SUMITOMO CHEMICAL COMPANY, LIMITED 2009-12-31 US disclosed
CN-101535368-A Method for producing polyarylene SUMITOMO CHEMICAL CO (JP) 2009-09-16 CN disclosed
EP-2065420-A1 METHOD FOR PRODUCING POLYARYLENE Sumitomo Chemical Company, Limited (JP) 2009-06-03 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-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PABPC1 4638/4885HTT 2269/4885CYP1A2 462/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 PABPC1 1403/4885HTT 2006/4885CYP1A2 228/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR PABPC1 2922/4885HTT 1087/4885CYP1A2 856/4885
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PABPC1 4638/4885HTT 2269/4885CYP1A2 462/4885

“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.