SCHEMBL2930858

SCHEMBL2930858

Nc1n[nH]c(N)c1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALOX15 P16050 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALPL P05186 2/20 0.49
PKM P14618 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 7/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL10921085 0.81 KDM4E (0.45) ILKL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13516442 0.81 KDM4E (0.45) ILKL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL20837061 0.78 L3MBTL1 (0.43) L3MBTL1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL12398412 0.78 LRRK2 (0.41) L3MBTL1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL19924703 0.78 LRRK2 (0.49) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL13516151 0.78 KDM4E (0.41) ILKL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13516139 0.78 KDM4E (0.42) L3MBTL1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL27374391 0.76 PIN1 (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL5199282 0.76 LRRK2 (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL10166769 0.74 MAPK1 (0.68) ILKL3MBTL1TDP1KDM4ELMNA

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-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
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
EP-1812440-B1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-09-22 EP disclosed
US-7528138-B2 Pyrazolo[1,5-a]pyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-05 US disclosed
US-7528138-B2 Pyrazolo[1,5-a]pyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-05 US disclosed
US-7528138-B2 Pyrazolo[1,5-a]pyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-05 US disclosed
EP-1812440-A1 PYRAZOLOÝ1,5-a¨PYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals, Inc. (US) 2007-08-01 EP disclosed
US-20060135537-A1 Pyrazolo[1,5-a]pyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-06-22 US disclosed
WO-2006052913-A1 PYRAZOLO[1,5-a]PYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-18 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ILK 3392/4885L3MBTL1 4311/4885NPC1 3570/4885
US-20060135537-A1 Pyrazolo[1,5-a]pyrimidines useful as inhibitors of protein kinases MAP3K5, MAP3K20, MAP3K1 ILK 1162/4885L3MBTL1 3679/4885NPC1 2610/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 ILK 3392/4885L3MBTL1 4311/4885NPC1 3570/4885

“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.