SCHEMBL2174911

SCHEMBL2174911

CC(C)(C)Nc1cc(Cl)ncn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
FGFR4 P22455 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
WDR5 P61964 1/20 0.32
HTR3A P46098 1/20 0.31
CYP1A2 P05177 1/20 0.31
PDE4A P27815 1/20 0.31
CYP2C19 P33261 1/20 0.31
GLP1R P43220 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
SCHEMBL1926314 0.78 NPC1 (0.42) NPC1KMT2AMEN1MKNK1WDR5
SCHEMBL19678813 0.77 THRB (0.42) NPC1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL374406 0.76
SCHEMBL29382825 0.76
SCHEMBL19164009 0.75 L3MBTL1 (0.32) L3MBTL1
SCHEMBL19679369 0.75 CDK5 (0.41) KMT2AMEN1MKNK1L3MBTL1
SCHEMBL15356370 0.75 HRH4 (0.51) NPC1KMT2AMEN1MKNK1FGFR4
SCHEMBL17164052 0.74 NPC1 (0.47) NPC1KMT2AMEN1MKNK1FGFR4
SCHEMBL21016702 0.72 JAK3 (0.38) NPC1L3MBTL1CYP1A2CYP2C19
SCHEMBL21016523 0.72 CA2 (0.47) L3MBTL1CYP1A2

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-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
EP-2519501-B1 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS UNIV WIEN TECH (AT) 2015-04-22 EP disclosed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US disclosed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US disclosed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US disclosed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US disclosed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US disclosed
EP-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP disclosed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 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 (3 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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 NPC1 321/4885KMT2A 4184/4885MEN1 3955/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 NPC1 358/4885KMT2A 3940/4885MEN1 3726/4885
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES TNNI3, TNNT2, PROX1 NPC1 4262/4885KMT2A 2502/4885MEN1 4740/4885

“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.