SCHEMBL17596067

SCHEMBL17596067

Cc1nc(-c2ccc(Cl)cc2)ncc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL18764365 0.85 RAB9A (0.44) NOTUMKDM4EMEN1KMT2ANPC1
SCHEMBL120535 0.83 TKT (0.46) NOTUMKDM4EMEN1KMT2ANPC1
SCHEMBL18764349 0.83 RAB9A (0.43) NOTUMKDM4EMEN1KMT2ANPC1
SCHEMBL4624996 0.82 NOTUM (0.49) NOTUMMEN1KMT2ANPC1RAB9A
SCHEMBL6017152 0.80 TRPV3 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4981395 0.74 L3MBTL1 (0.48) NOTUMKDM4ENPC1RAB9AALDH1A1
SCHEMBL11932721 0.73 RAB9A (0.46) NOTUMKDM4EMEN1KMT2ANPC1
SCHEMBL21713021 0.73 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2120597 0.73 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3299899 0.72 NOTUM (0.47) NOTUMMEN1KMT2ANPC1RAB9A

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 NOTUM 1748/4885KDM4E 1797/4885MEN1 4280/4885

“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.