SCHEMBL2229609

SCHEMBL2229609

Clc1cccc(-c2cc(-n3ccnc3)ncn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.67
CYP3A4 P08684 8/20 0.67
CYP2C19 P33261 7/20 0.67
HSD17B10 Q99714 7/20 0.67
CYP2D6 P10635 7/20 0.67
ALOX15 P16050 6/20 0.67
CLK4 Q9HAZ1 4/20 0.67
TSHR P16473 2/20 0.67
LMNA P02545 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
CASP7 P55210 2/20 0.57
KDM4E B2RXH2 2/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CASP1 P29466 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL2226965 0.82 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL2229475 0.77 KMO (0.48) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL2228097 0.77 GRM5 (0.71) CYP1A2CYP3A4CYP2C19HSD17B10ALOX15
SCHEMBL17273305 0.75 KMO (0.67) IDO1KMODPP4PIM1
SCHEMBL29450669 0.75 KMO (0.67) IDO1KMODPP4PIM1
SCHEMBL9521235 0.74 CYP3A4 (0.58) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL2228692 0.73 KMO (0.47) CYP1A2CYP3A4CYP2C19HSD17B10ALOX15
SCHEMBL559293 0.73 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL30459860 0.71 KMO (0.61) CLK4IDO1KMODPP4PIM1
SCHEMBL2228047 0.71 KMO (0.61) CLK4IDO1KMODPP4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029988-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-01-31 US claimed
EP-2528441-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2012-12-05 EP claimed
CN-102811620-A Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI INC 2012-12-05 CN claimed
WO-2011091153-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-07-28 WO claimed
US-9649310-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-05-16 US disclosed
US-9649310-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-05-16 US disclosed
US-20160361312-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2016-12-15 US disclosed
US-20160361312-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2016-12-15 US disclosed
US-8883785-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2014-11-11 US disclosed
US-20140329816-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
US-20140329816-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
US-20130029988-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-01-31 US disclosed
US-20130029988-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-01-31 US disclosed
US-20130029988-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-01-31 US disclosed
EP-2528441-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2012-12-05 EP disclosed
CN-102811620-A Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI INC 2012-12-05 CN disclosed
WO-2011091153-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-07-28 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-20130029988-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA CYP1A2 354/4885CYP3A4 377/4885CYP2C19 356/4885
US-20140329816-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA CYP1A2 354/4885CYP3A4 377/4885CYP2C19 356/4885
US-20160361312-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA CYP1A2 354/4885CYP3A4 377/4885CYP2C19 356/4885

“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.