SCHEMBL4510667

SCHEMBL4510667

Nc1[nH]ncc1-c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
TGFBR1 P36897 11/20 0.56
MAPK14 Q16539 3/20 0.51
TDO2 P48775 1/20 0.50
TGFBR2 P37173 1/20 0.48
ABL2 P42684 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
MAP3K20 Q9NYL2 1/20 0.48
ILK Q13418 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46

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
SCHEMBL16535074 0.81 NPY5R (0.57) LMNATGFBR1MAPK14TGFBR2ABL2
SCHEMBL10413171 0.79 TGFBR1 (0.77) TGFBR1MAPK14TGFBR2ABL2CSNK1A1
SCHEMBL15314119 0.78 AKT1 (0.56) LMNATGFBR1MAPK14TGFBR2ABL2
SCHEMBL10921088 0.77 TGFBR1 (0.51) LMNATGFBR1MAPK14TDO2TGFBR2
SCHEMBL10513581 0.74 TGFBR1 (0.51) LMNATGFBR1MAPK14TDO2TGFBR2
SCHEMBL12265081 0.74 TGFBR1 (0.51) LMNATGFBR1MAPK14TGFBR2ABL2
SCHEMBL10513205 0.74 TGFBR1 (0.51) LMNATGFBR1MAPK14TGFBR2ABL2
SCHEMBL12313143 0.74 TGFBR1 (0.51) LMNATGFBR1MAPK14TGFBR2ABL2
SCHEMBL7264282 0.74 TGFBR1 (0.59) LMNATGFBR1MAPK14TGFBR2ABL2
SCHEMBL23294714 0.73 TGFBR1 (0.54) LMNATGFBR1MAPK14TGFBR2ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755652-B1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2021-06-02 EP disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-9056867-B2 N-substituted heterocyclyl carboxamides NOVARTIS AG (CH) 2015-06-16 US disclosed
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides NOVARTIS AG (CH) 2014-10-30 US disclosed
EP-2755652-A1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES Novartis AG (CH) 2014-07-23 EP disclosed
CN-103930109-A N-substituted heterocyclyl carboxamides NOVARTIS AG 2014-07-16 CN disclosed
WO-2013038390-A1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2013-03-21 WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
EP-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 LMNA 1114/4885TGFBR1 4598/4885MAPK14 434/4885
US-20140323485-A1 N-Substituted Heterocyclyl Carboxamides CFTR, AQP1, BDKRB1 LMNA 2081/4885TGFBR1 1387/4885MAPK14 2919/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 LMNA 1114/4885TGFBR1 4598/4885MAPK14 434/4885
US-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 LMNA 3788/4885TGFBR1 2746/4885MAPK14 4317/4885

“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.