SCHEMBL3528996

SCHEMBL3528996

COC(=O)c1ccc(Oc2cc(N)nc(N)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 3/20 0.55
TSHR P16473 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 3/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 2/20 0.53
NPC1 O15118 2/20 0.53
GLA P06280 2/20 0.53
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KLF5 Q13887 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL16139281 0.87 ALDH1A1 (0.64) ALDH1A1LMNATSHRNPSR1GAA
SCHEMBL2235780 0.84 TSHR (0.75) ALDH1A1LMNATSHRNPSR1GAA
SCHEMBL3531075 0.83 CA1 (0.47) ALDH1A1LMNATSHRSMN1; SMN2RAB9A
SCHEMBL23582095 0.78 ALDH1A1 (0.52) ALDH1A1LMNATSHRNPSR1GAA
SCHEMBL31357626 0.78 ALDH1A1 (0.52) ALDH1A1LMNATSHRNPSR1GAA
SCHEMBL10720328 0.77 RAB9A (0.54) ALDH1A1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL4319868 0.75 ALDH1A1 (0.52) ALDH1A1LMNATSHRNPSR1GAA
SCHEMBL69218 0.74 CA1 (0.75) ALDH1A1TSHRSMN1; SMN2RAB9ACA1
SCHEMBL24125032 0.73 GAA (0.64) ALDH1A1TSHRNPSR1GAASMN1; SMN2
SCHEMBL9638455 0.73 NUDT1 (0.63) ALDH1A1SMN1; SMN2RAB9AMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
EP-2532653-A1 Benzo[1,2,4]triazines as protein kinase modulators Targegen, Inc. (US) 2012-12-12 EP disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ALDH1A1 1642/4885LMNA 2163/4885TSHR 2013/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ALDH1A1 1642/4885LMNA 2163/4885TSHR 2013/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS ALDH1A1 1642/4885LMNA 2163/4885TSHR 2013/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ALDH1A1 1642/4885LMNA 2163/4885TSHR 2013/4885

“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.