SCHEMBL1938152

SCHEMBL1938152

O=C(Nc1cccnc1)c1cc(-c2cccc(Cl)c2)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
TP53 P04637 1/20 0.69
POLB P06746 1/20 0.69
GRM5 P41594 1/20 0.63
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KCNMA1 Q12791 1/20 0.56
CYP11B2 P19099 3/20 0.56
CYP11B1 P15538 1/20 0.56
GRM4 Q14833 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NOTUM Q6P988 1/20 0.55
CSF1R P07333 1/20 0.55
SGMS2 Q8NHU3 1/20 0.54
NAMPT P43490 1/20 0.53
BRAF P15056 1/20 0.53
XBP1 P17861 1/20 0.53
STAT3 P40763 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53

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
SCHEMBL1938068 0.91 MAPT (0.60) MAPTTP53POLBGRM5MEN1
SCHEMBL1939832 0.88 GRM5 (0.58) MAPTTP53POLBGRM5GRM4
SCHEMBL1938787 0.87 CNR2 (0.65) MAPTGRM5MEN1KMT2AGRM4
SCHEMBL1938689 0.85 MAPT (0.64) MAPTTP53POLBGRM5MEN1
SCHEMBL1938310 0.85 CSF1R (0.57) MAPTCYP11B2CYP11B1GRM4CSF1R
Hydrochloric Acid SCHEMBL1937303 0.84 MAPT (0.62) MAPTTP53POLBGRM5MEN1
SCHEMBL30761145 0.83 IRAK4 (0.63) GRM5NAMPTLMNACNR1
SCHEMBL1939042 0.81 GRM5 (0.60) MAPTTP53POLBGRM5MEN1
SCHEMBL1937367 0.81 KDR (0.56) MAPTTP53GRM4HDAC6SMN1; SMN2
SCHEMBL1938962 0.79 MAPT (0.61) MAPTTP53POLBGRM5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF WITYAK JOHN (US) 2013-12-12 US claimed
US-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-07-28 US claimed
EP-2331095-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, Inc. (US) 2011-06-15 EP claimed
WO-2010017179-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 WO claimed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9145373-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-09-29 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
EP-2331095-B1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2014-10-15 EP disclosed
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF WITYAK JOHN (US) 2013-12-12 US disclosed
US-8536186-B2 Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2013-09-17 US disclosed
WO-2013033068-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO disclosed
US-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-07-28 US disclosed
EP-2331095-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, Inc. (US) 2011-06-15 EP disclosed
WO-2010017179-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 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-20110183957-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA MAPT 934/4885TP53 3151/4885POLB 2457/4885
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO MAPT 865/4885TP53 3252/4885POLB 2039/4885
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA MAPT 934/4885TP53 3151/4885POLB 2457/4885

“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.