SCHEMBL4171391

SCHEMBL4171391

Nc1[nH]ncc1-c1cccc(N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
RPS6KA3 P51812 1/20 0.48
FYN P06241 1/20 0.47
METAP2 P50579 1/20 0.47
DHFR P00374 1/20 0.46
AGXT P21549 1/20 0.46
ATR Q13535 2/20 0.45
LRRK2 Q5S007 2/20 0.44
CDK2 P24941 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CDC7 O00311 1/20 0.43
MAPK14 Q16539 1/20 0.42
KMO O15229 1/20 0.42
ATRIP Q8WXE1 1/20 0.41

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
SCHEMBL4754710 0.85 LMNA (0.50) LMNADHFR
SCHEMBL3580409 0.84 ADRA2C (0.54) LMNARPS6KA3AGXT
SCHEMBL4167689 0.80 LMNA (0.48) LMNADHFR
SCHEMBL4170248 0.79 LMNA (0.43) LMNADHFR
SCHEMBL5743091 0.79 LMNA (0.46) LMNALRRK2
SCHEMBL4176127 0.79 LMNA (0.46) LMNALRRK2
SCHEMBL4170081 0.77 ALDH1A1 (0.51) LMNARPS6KA3METAP2
SCHEMBL4611806 0.75 DHFR (0.71) DHFR
SCHEMBL14320394 0.75 AGXT (0.56) LMNADHFRAGXTLRRK2BRD4
SCHEMBL13516067 0.75 CNR2 (0.56) ATRATRIP

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 LMNA 4109/4885RPS6KA3 2391/4885FYN 360/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 LMNA 2478/4885RPS6KA3 391/4885FYN 217/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 LMNA 2478/4885RPS6KA3 391/4885FYN 217/4885

“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.