SCHEMBL3484822

SCHEMBL3484822

NC(=O)CNc1ncc(-c2cccc(C(F)(F)F)c2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 14/20 0.52
GRIN1 Q05586 11/20 0.52
PARP1 P09874 1/20 0.51
KIF11 P52732 1/20 0.46
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
PTPN1 P18031 2/20 0.43
PTPN6 P29350 2/20 0.43
PTPN2 P17706 1/20 0.42
KCNH2 Q12809 2/20 0.42
CTSK P43235 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3485004 0.86 GRIN2B (0.53) GRIN2BGRIN1PARP1PIK3CDPIK3CA
SCHEMBL3485871 0.85 EGLN1 (0.55) GRIN2B
SCHEMBL3484713 0.85 GRIN2B (0.55) GRIN2BGRIN1PARP1
SCHEMBL1921393 0.82 EGLN1 (0.56) GRIN2BGRIN1
SCHEMBL3485404 0.82 PARP1 (0.49) GRIN2BGRIN1PARP1KIF11PIK3CD
SCHEMBL3484818 0.82 EGLN1 (0.60) GRIN2BGRIN1
SCHEMBL3485426 0.81 PARP1 (0.50) GRIN2BGRIN1PARP1KIF11PIK3CD
SCHEMBL14331233 0.78 EGLN1 (0.53) GRIN2B
SCHEMBL3485325 0.76 GRIN2B (0.46) GRIN2BGRIN1PARP1PIK3CDPIK3CA
SCHEMBL3485270 0.76 GRIN2B (0.47) GRIN2BGRIN1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009648-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE KREOS CAPITAL VII (UK) LIMITED (GB) 2016-01-14 US claimed
US-8343952-B2 Prolyl hydroxylase inhibitors and methods of use AKEBIA THERAPEUTICS INC. (US) 2013-01-01 US claimed
US-20100331303-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE AKEBIA THERAPEUTICS, INC. 2010-12-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160009648-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE HIF1AN, EGLN3, HIF1A GRIN2B 4440/4885GRIN1 4305/4885PARP1 184/4885
US-20100331303-A1 PROLYL HYDROXYLASE INHIBITORS AND METHODS OF USE HIF1AN, EGLN3, HIF1A GRIN2B 4440/4885GRIN1 4305/4885PARP1 184/4885

“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.