SCHEMBL14775197

SCHEMBL14775197

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTGS2 P35354 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
DGAT1 O75907 2/20 0.30
NR1H4 Q96RI1 1/20 0.30
AR P10275 1/20 0.30
HDAC3 O15379 2/20 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
SCHEMBL14761983 0.82 KMT2A (0.35) TSHRMAPK1MEN1KMT2AKDM4E
SCHEMBL14775198 0.78 BCHE (0.32) BCHEACHEPTGS2
SCHEMBL20915722 0.74 NR1H4 (0.34) TSHRMAPK1L3MBTL1KDM4EKDM5C
SCHEMBL31738488 0.70 PTGS2 (0.40) L3MBTL1BCHEACHEPTGS2HDAC6
SCHEMBL19006346 0.69 GGPS1 (0.38) TSHRMAPK1KMT2AL3MBTL1DGAT1
SCHEMBL19006345 0.68 TSHR (0.34) TSHRMAPK1MEN1KMT2AL3MBTL1
SCHEMBL20915838 0.68 NLRP3 (0.38) MEN1KMT2AEGLN1NR1H4HDAC3
SCHEMBL20915855 0.67 CDC7 (0.41) MEN1KMT2ANR1H4HDAC3HDAC4
SCHEMBL18999238 0.67 HRH4 (0.37) TSHRMAPK1L3MBTL1KDM4ENR1H4
SCHEMBL20915871 0.66 HSP90AA1 (0.38) TSHRMAPK1L3MBTL1NR1H4AR

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 TSHR 1299/4885MAPK1 233/4885MEN1 1254/4885

“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.