SCHEMBL827778

SCHEMBL827778

Cc1cnc2c(c1)OCC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL31168610 1.00 PKM (0.34) PKMNPC1RAB9ACCR1CCR5
SCHEMBL13459876 0.89 NPC1 (0.32) NPC1RAB9ACCR1CCR5CCR8
SCHEMBL31168664 0.76 IDO1 (0.34) PKMNPC1RAB9AMAPTMAOB
SCHEMBL13459980 0.76 MAPT (0.36) RAB9AGAAMAPT
SCHEMBL31168577 0.76 NPC1 (0.32) NPC1RAB9AMAPTMAOB
SCHEMBL19023235 0.76 MAOA (0.41) MAOB
SCHEMBL619585 0.76 HTT (0.37) NPC1RAB9AMAPTMAOBKMT2A
SCHEMBL26152852 0.76 KDM4E (0.36) NPC1MAPT
SCHEMBL26968631 0.76 RHOA (0.31) GAACYP1A2
SCHEMBL15469462 0.74 MAOB (0.39) PKMNPC1RAB9AALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054469-A1 ISOQUINOLONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-03-14 WO disclosed
WO-2023215238-A1 PREPARATION AND USES OF 7-AZAINDENOISOQUINOLINES PURDUE RESEARCH FOUNDATION (US) 2023-11-09 WO disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
US-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
WO-2010026771-A1 NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF, AND BACTERICIDAL AGENT FOR AGRICULTURAL OR HORTICULTURAL APPLICATIONS 日本曹達株式会社 (JP) 2010-03-11 WO disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 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-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PKM 1616/4885NPC1 1281/4885RAB9A 2809/4885
US-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PKM 1616/4885NPC1 1281/4885RAB9A 2809/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PKM 4672/4885NPC1 1470/4885RAB9A 1887/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 PKM 3699/4885NPC1 2263/4885RAB9A 1835/4885

“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.