SCHEMBL4170313

SCHEMBL4170313

CC(=O)C(C#N)c1ccc(F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.42
S1PR3 Q99500 5/20 0.41
S1PR1 P21453 4/20 0.41
S1PR4 O95977 3/20 0.41
S1PR2 O95136 2/20 0.41
RAPGEF3 O95398 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4163319 0.85 CES2 (0.44) S1PR3S1PR1LMNASMN1; SMN2
SCHEMBL30141294 0.85 SLC6A3 (0.46) S1PR3S1PR1S1PR4S1PR2SLC6A2
SCHEMBL5141561 0.84 MDM2 (0.42) MDM2S1PR3S1PR1S1PR4S1PR2
SCHEMBL1008191 0.82 MDM2 (0.40) MDM2S1PR3S1PR1S1PR4S1PR2
SCHEMBL30141158 0.81 TDP1 (0.35) S1PR3NPC1RAB9ATSHRCYP2D6
SCHEMBL7740756 0.80 BRD4 (0.53) S1PR3TSHRSLC6A4SLC6A3BRD4
Hydrochloric Acid SCHEMBL2789004 0.79 MDM2 (0.44) MDM2NPC1RAB9ATSHRKDM4E
SCHEMBL7282534 0.78 RAPGEF3 (0.35) RAPGEF3CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4170398 0.78 MEN1 (0.43) TSHRCYP3A4CYP2D6MEN1KMT2A
SCHEMBL1720514 0.76 LMNA (0.51) LMNAHTTKMT2ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US 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
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 (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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 MDM2 3753/4885S1PR3 106/4885S1PR1 103/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 MDM2 2677/4885S1PR3 1897/4885S1PR1 1718/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 MDM2 2677/4885S1PR3 1897/4885S1PR1 1718/4885

“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.