SCHEMBL179560

SCHEMBL179560

Oc1ncnn2ccnc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
SMPD3 Q9NY59 3/20 0.34
AXL P30530 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CDK2 P24941 1/20 0.32
NUDT1 P36639 1/20 0.31
MAP4K4 O95819 1/20 0.31
GLA P06280 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
SCHEMBL179552 0.74 PDE10A (0.38) PDE10ASMPD3AXLALDH1A1KDM4E
SCHEMBL10281637 0.74 PDE10A (0.38) PDE10ASMPD3AXLALDH1A1HTT
SCHEMBL24166775 0.74 PDE10A (0.38) PDE10ASMPD3AXLALDH1A1KDM4E
SCHEMBL12462963 0.74 PDE10A (0.34) PDE10ASMPD3AXLALDH1A1KDM4E
SCHEMBL4569294 0.70 SMPD3 (0.38) SMPD3AXLALDH1A1KDM4EHTT
SCHEMBL15760556 0.70 PDE10A (0.38) PDE10ASMPD3AXLALDH1A1KDM4E
SCHEMBL736971 0.70 NUDT1 (0.50) PDE10ASMPD3ALDH1A1KDM4EHTT
SCHEMBL19942300 0.70 PDE10A (0.38) PDE10ASMPD3AXLALDH1A1KDM4E
SCHEMBL4569216 0.69 PIK3CG (0.38) PDE10ASMPD3AXLMAP4K4
SCHEMBL13392123 0.69 SMPD3 (0.36) PDE10ASMPD3AXLALDH1A1MAP4K4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
EP-3956341-A1 CD73 INHIBITORS Bioardis LLC (US) 2022-02-23 EP disclosed
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed
WO-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
EP-2734520-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-09-14 EP disclosed
EP-2571357-B1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS INC (US) 2016-07-06 EP disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 WO disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
WO-2010036407-A2 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PDE10A 2601/4885SMPD3 2593/4885AXL 2045/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PDE10A 549/4885SMPD3 525/4885AXL 1770/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PDE10A 455/4885SMPD3 588/4885AXL 1068/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 PDE10A 684/4885SMPD3 86/4885AXL 4227/4885

“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.