SCHEMBL666526

SCHEMBL666526

Nc1ncccc1/N=N/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
TDP1 Q9NUW8 5/20 0.58
MAPK1 P28482 4/20 0.58
CYP3A4 P08684 3/20 0.58
HBB P68871 2/20 0.58
USP2 O75604 2/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.58
CHRM1 P11229 1/20 0.58
CYP2C9 P11712 1/20 0.58
DRD2 P14416 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
CHRM3 P20309 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
PDE4A P27815 1/20 0.58

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
SCHEMBL666527 1.00 MEN1 (0.58) MEN1KMT2ATDP1MAPK1CYP3A4
SCHEMBL3398571 0.79 MEN1 (0.51) MEN1KMT2ATDP1MAPK1CYP3A4
Hydrochloric Acid SCHEMBL2234488 0.78 MAPT (0.53) MEN1KMT2ATDP1MAPK1CYP3A4
SCHEMBL4650326 0.77 CCNE2 (0.55) MEN1KMT2ATDP1MAPK1CYP3A4
Phenazopyridine SCHEMBL1221464 0.74 MEN1 (0.93) MEN1KMT2ATDP1MAPK1CYP3A4
SCHEMBL3266656 0.73 ALDH1A1 (0.75) MEN1KMT2ATDP1MAPK1CYP3A4
SCHEMBL3079317 0.73 CASP3 (0.53) MEN1KMT2ATDP1MAPK1CYP3A4
Phenazopyridine SCHEMBL360809 0.73 MEN1 (1.00) MEN1KMT2ATDP1MAPK1CYP3A4
Phenazopyridine SCHEMBL14340038 0.73 MEN1 (1.00) MEN1KMT2ATDP1MAPK1CYP3A4
SCHEMBL4780554 0.73 KMT2A (0.53) MEN1KMT2ATDP1MAPK1CYP3A4

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
US-8609413-B2 Neurons, astrocytes and oligodendrocytes differentiated from a mammalian pluripotent or neural stem cells exposed to a pyridine deriviative RESEARCH DEVELOPMENT FOUNDATION (US) 2013-12-17 US claimed
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US claimed
US-20110046092-A1 SMALL MOLECULES FOR NEURONAL DIFFERENTIATION OF EMBRYONIC STEM CELLS RESEARCH DEVELOPMENT FOUNDATION (US) 2011-02-24 US claimed
EP-2235161-A1 SMALL MOLECULES FOR NEURONAL DIFFERENTIATION OF EMBRYONIC STEM CELLS Research Development Foundation (US) 2010-10-06 EP claimed
WO-2009076529-A1 SMALL MOLECULES FOR NEURONAL DIFFERENTIATION OF EMBRYONIC STEM CELLS RESEARCH DEVELOPMENT FOUNDATION (US) 2009-06-18 WO claimed
US-8815592-B2 Methods and compositions related to dopaminergic neuronal cells RESEARCH DEVELOPMENT FOUNDATION (US) 2014-08-26 US disclosed
US-8609413-B2 Neurons, astrocytes and oligodendrocytes differentiated from a mammalian pluripotent or neural stem cells exposed to a pyridine deriviative RESEARCH DEVELOPMENT FOUNDATION (US) 2013-12-17 US disclosed
US-20130149717-A1 METHODS AND COMPOSITIONS RELATED TO DOPAMINERGIC NEURONAL CELLS RESEARCH DEVELOPMENT FOUNDATION (US) 2013-06-13 US disclosed
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US disclosed
WO-2011133661-A2 METHODS AND COMPOSITIONS RELATED TO DOPAMINERGIC NEURONAL CELLS RESEARCH DEVELOPMENT FOUNDATION (US) 2011-10-27 WO disclosed
US-20110046092-A1 SMALL MOLECULES FOR NEURONAL DIFFERENTIATION OF EMBRYONIC STEM CELLS RESEARCH DEVELOPMENT FOUNDATION (US) 2011-02-24 US disclosed
EP-2235161-A1 SMALL MOLECULES FOR NEURONAL DIFFERENTIATION OF EMBRYONIC STEM CELLS Research Development Foundation (US) 2010-10-06 EP disclosed
WO-2009076529-A1 SMALL MOLECULES FOR NEURONAL DIFFERENTIATION OF EMBRYONIC STEM CELLS RESEARCH DEVELOPMENT FOUNDATION (US) 2009-06-18 WO disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (2 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-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR GRM6, GRM5, GRM7 MEN1 3871/4885KMT2A 2213/4885TDP1 3148/4885
US-20110046092-A1 SMALL MOLECULES FOR NEURONAL DIFFERENTIATION OF EMBRYONIC STEM CELLS NES, DCX, GAP43 MEN1 4738/4885KMT2A 378/4885TDP1 2719/4885

“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.