SCHEMBL4180644

SCHEMBL4180644

COc1ccc(N2CCOCC2)cc1-c1cnn2c(N)c(-c3cccc(Cl)c3)c(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.47
RAB9A P51151 10/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
FYN P06241 1/20 0.47
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
PDE4B Q07343 1/20 0.42
LCK P06239 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
BLM P54132 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4173008 0.93 NPC1 (0.49) NPC1RAB9AMEN1KMT2AFYN
SCHEMBL4171309 0.91 LCK (0.50) NPC1RAB9AMEN1KMT2AFYN
SCHEMBL4173163 0.90 FYN (0.47) NPC1RAB9AMEN1KMT2AFYN
SCHEMBL4180131 0.89 FYN (0.46) NPC1RAB9AMEN1KMT2AFYN
SCHEMBL4174601 0.89 RAB9A (0.48) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL4167171 0.87 FYN (0.44) NPC1RAB9AMEN1KMT2AFYN
SCHEMBL4185185 0.87 NPC1 (0.52) NPC1RAB9AMEN1KMT2AFYN
SCHEMBL4177518 0.87 FYN (0.44) NPC1RAB9AMEN1KMT2AFYN
SCHEMBL4162823 0.87 LCK (0.45) NPC1RAB9AMEN1KMT2AFYN
SCHEMBL4178621 0.87 RAB9A (0.47) NPC1RAB9AMEN1KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NPC1 1374/4885RAB9A 849/4885MEN1 4377/4885

“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.