SCHEMBL164239

SCHEMBL164239

N#Cc1cnn(Cc2ccccc2)c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.50
PKM P14618 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
RECQL P46063 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
XDH P47989 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL2855079 0.84 PKM (0.47) TSHRALDH1A1HSD17B10PKMFNTA
SCHEMBL4354841 0.82 HSD17B10 (0.51) TSHRALDH1A1HSD17B10PKMRECQL
SCHEMBL4361426 0.82 HSD17B10 (0.51) TSHRALDH1A1HSD17B10PKMRECQL
SCHEMBL16014455 0.81 KMT2A (0.54) TSHRALDH1A1PKMKDM4EKMT2A
SCHEMBL4352982 0.81 TSHR (0.51) TSHRALDH1A1HSD17B10PKMRECQL
SCHEMBL17366532 0.79 TSHR (0.47) TSHRALDH1A1PKMFNTAFNTB
SCHEMBL144813 0.78 TSHR (0.69) TSHRALDH1A1HSD17B10RECQLKDM4E
SCHEMBL4347817 0.76 TSHR (0.67) TSHRALDH1A1HSD17B10PKMRECQL
SCHEMBL174714 0.76 PKM (0.54) ALDH1A1PKMFNTAFNTBRECQL
SCHEMBL16014799 0.76 NPBWR1 (0.42) ALDH1A1PKMFNTAFNTBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-7614145-B2 Method for manufacturing multilayer circuit board and resin base material ZEON CORPORATION (JP) 2009-11-10 US disclosed
US-20080217617-A1 Thin Film Transistor, Wiring Board and Methods of Manufacturing the Same ZEON CORPORATION (JP) 2008-09-11 US disclosed
US-20050153059-A1 Partial plating method, partially-plated resin base, method for manufacturing multilayered circuit board ZEON CORPORATION (JP) 2005-07-14 US disclosed
US-20040237295-A1 Multilayer circuit board and resin base material, and its production method ZEON CORPORATION (JP) 2004-12-02 US disclosed
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed
US-4546104-A Pyrazolopyridine cycloalkanones and process for their preparation ICI AMERICAS INC. (US) 1985-10-08 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 (1 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 TSHR 2618/4885ALDH1A1 3689/4885HSD17B10 3322/4885

“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.