SCHEMBL14761983

SCHEMBL14761983

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 2/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM5C P41229 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
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
HPGD P15428 1/20 0.31

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 0.82 TSHR (0.32) KMT2AMAPK1MEN1TSHRKDM4C
SCHEMBL30831248 0.79 NPC1 (0.36) KMT2AALDH1A1LMNANPC1KDM4C
SCHEMBL31656144 0.78 MAPK1 (0.41) MAPK1KDM4E
SCHEMBL14775198 0.77 BCHE (0.32) BCHEACHEPTGS2
SCHEMBL31738488 0.71 PTGS2 (0.40) NPC1BCHEACHEPTGS2
SCHEMBL31345378 0.68 NPC1 (0.38) KMT2AALDH1A1LMNANPC1KDM4C
SCHEMBL18377722 0.68 NPC1 (0.46) KMT2AMAPK1ALDH1A1LMNANPC1
SCHEMBL18377936 0.67 NPC1 (0.42) KMT2AMAPK1ALDH1A1LMNANPC1
SCHEMBL18367606 0.66 NPC1 (0.41) KMT2AALDH1A1LMNANPC1KDM4C
SCHEMBL1784554 0.66 HDAC3 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2020-02-04 US disclosed
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2015-12-10 US disclosed
US-9150569-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-06 US disclosed
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-03-14 US 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 (4 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-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 KMT2A 717/4885MAPK1 233/4885MEN1 1254/4885
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYNU, KMO, IDO1 KMT2A 717/4885MAPK1 233/4885MEN1 1254/4885
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 KMT2A 717/4885MAPK1 233/4885MEN1 1254/4885
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 KMT2A 717/4885MAPK1 223/4885MEN1 1313/4885

“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.