SCHEMBL4176948

SCHEMBL4176948

Cc1csc(/C(C#N)=C/N(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
MAPT P10636 15/20 0.38
TP53 P04637 4/20 0.37
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOS1 P29475 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX12 P18054 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4176954 1.00 HSD17B10 (0.51) HSD17B10MAPTTP53THRBKDM4E
SCHEMBL4176951 1.00 HSD17B10 (0.51) HSD17B10MAPTTP53THRBKDM4E
SCHEMBL15660784 0.77 HSD17B10 (0.51) HSD17B10MAPTTP53THRBALDH1A1
SCHEMBL7192578 0.72 FTO (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15658000 0.72 FTO (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15657999 0.72 FTO (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18182127 0.72 HSD17B10 (0.46) HSD17B10MAPTTP53KDM4EALDH1A1
SCHEMBL1924257 0.71 ALDH1A1 (0.33) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL1924256 0.71 ALDH1A1 (0.33) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL33533378 0.70 HSD17B10 (0.59) HSD17B10MAPTALDH1A1NOS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392389-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2019-08-27 US disclosed
US-10392389-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2019-08-27 US disclosed
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-08 US disclosed
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-08 US disclosed
WO-2014066795-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-01 WO disclosed
WO-2014066795-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-01 WO disclosed
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
CN-101394853-A Use of pyrazolo [1, 5-a ] pyrimidin-7-ylamine derivatives in the treatment of neurological disorders NOVARTIS AG (CH) 2009-03-25 CN disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
EP-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP disclosed
WO-2007103432-A9 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-10 WO disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 WO disclosed
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 CN disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 EP disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 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 (5 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-10392389-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 HSD17B10 2554/4885MAPT 3629/4885TP53 1469/4885
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 HSD17B10 4125/4885MAPT 582/4885TP53 3934/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 HSD17B10 3814/4885MAPT 793/4885TP53 659/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 HSD17B10 3814/4885MAPT 793/4885TP53 659/4885
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HSD17B10 2554/4885MAPT 3629/4885TP53 1469/4885

“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.