SCHEMBL14775198

SCHEMBL14775198

CCOC(OCC)c1ccc(-c2cn(OC(=O)C(C)(C)CC)nn2)nc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL14775197 0.78 TSHR (0.32) BCHEACHEPTGS2
SCHEMBL14761983 0.77 KMT2A (0.35) BCHEACHEPTGS2
SCHEMBL20915724 0.74 NR1H4 (0.30)
SCHEMBL31738488 0.71 PTGS2 (0.40) BCHEACHEPTGS2
SCHEMBL20915839 0.68 NR1H4 (0.31)
SCHEMBL20915856 0.68 NR1H4 (0.34)
SCHEMBL20915873 0.67 HSP90AA1 (0.31)
SCHEMBL20915835 0.66 NR1H4 (0.31)
SCHEMBL20915750 0.66 HSP90AA1 (0.33)
SCHEMBL20915646 0.66 SRC (0.35)

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-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
EP-2570411-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO LTD (JP) 2016-07-06 EP disclosed
EP-2570411-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING KYNURENINE PRODUCTION INHIBITORY ACTIVITY Kyowa Hakko Kirin Co., Ltd. (JP) 2013-03-20 EP 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-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 BCHE 1324/4885ACHE 1612/4885PTGS2 676/4885

“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.