SCHEMBL17596059

SCHEMBL17596059

Cc1oc(-c2ccc(Cl)cc2Cl)nc1CCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
HPGD P15428 5/20 0.47
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
PDE4B Q07343 1/20 0.44
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM1A O60341 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KDM4E B2RXH2 3/20 0.42
FURIN P09958 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL1436022 0.81 MEN1 (0.53) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL924162 0.78 HSD17B10 (0.54) SMN1; SMN2HPGDALDH1A1MAPK1HSD17B10
SCHEMBL1436230 0.76 MAPT (0.56) NPC1SMN1; SMN2HPGDMAPK1TSHR
SCHEMBL31180852 0.75 PPARG (0.43) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5022215 0.74 SLC9A1 (0.42) NPC1MAPK1PDE4BHSD17B10TSHR
SCHEMBL3981354 0.73 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4324890 0.71 PPARG (0.50) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL376946 0.71 PPARG (0.48) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4363143 0.71 POLB (0.51) SMN1; SMN2ALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL12163631 0.71 ESR1 (0.39) RAB9AALDH1A1PDE4BHSD17B10KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 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 (1 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 NPC1 3570/4885RAB9A 3642/4885SMN1; SMN2 4524/4885

“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.