SCHEMBL17633667

SCHEMBL17633667

O=C1Nc2c(Cl)ccnc2OC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
CA2 P00918 1/20 0.33
QPCT Q16769 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS O95271 2/20 0.31
BRD4 O60885 1/20 0.31
COMT P21964 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
NOTUM Q6P988 1/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
WNT3A P56704 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL17634199 0.74 HTR2C (0.34)
SCHEMBL17633644 0.71 PBRM1 (0.40) CA2PARP1TNKSBRD4
SCHEMBL17633653 0.71 BRD4 (0.43) BRD4JUNNFKB1NFKB2RELA
SCHEMBL17634084 0.69 PARP1 (0.49) CA2PARP1BRD4
SCHEMBL17634206 0.68 BRD4 (0.51) BRD4
SCHEMBL17634285 0.67 BRD4 (0.40) CA2BRD4JUNNFKB1NFKB2
SCHEMBL17634230 0.66 BRD4 (0.39) CA2BRD4JUNNFKB1NFKB2
SCHEMBL17634231 0.64 BRD4 (0.47) CA2BRD4
SCHEMBL17633643 0.64 MAPT (0.40) CA2PARP1BRD4
SCHEMBL17633666 0.63 CYP2C19 (0.43) CA2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197900-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-02-12 EP disclosed
US-9969752-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
EP-3197900-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP disclosed
WO-2016049099-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
WO-2016045127-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 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-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 DAO 756/4885CA2 777/4885QPCT 1669/4885

“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.