SCHEMBL4160576

SCHEMBL4160576

COc1cccc(-c2cnc3c(-c4csc5ccccc45)cnn3c2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
FYN P06241 1/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
RXFP1 Q9HBX9 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
LCK P06239 3/20 0.40
HCK P08631 3/20 0.40
SRC P12931 3/20 0.40
STAT1 P42224 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4171150 0.85 KDR (0.66) KDRFYNNPC1RAB9AKMT2A
SCHEMBL4175110 0.83 NPC1 (0.71) KDRFYNNPC1RAB9AKMT2A
SCHEMBL4165795 0.82 KDR (0.77) KDRFYNNPC1RAB9AKMT2A
SCHEMBL4758731 0.80 KDR (0.62) KDRKMT2A
SCHEMBL4168934 0.78 KDR (0.62) KDRFYNNPC1RAB9AKMT2A
SCHEMBL4171274 0.77 FYN (0.57) KDRFYNNPC1RAB9AKMT2A
SCHEMBL4173636 0.77 NPC1 (0.57) KDRFYNNPC1RAB9AKMT2A
SCHEMBL4185042 0.74 LCK (0.47) KDRFYNLCKHCKSRC
SCHEMBL4170364 0.72 LCK (0.74) KDRFYNNPC1RAB9AKMT2A
SCHEMBL4168118 0.72 FYN (0.53) KDRFYNNPC1RAB9AKMT2A

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 9 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 claimed
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 claimed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US claimed
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 claimed
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-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 KDR 780/4885FYN 360/4885NPC1 1374/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDR 1240/4885FYN 217/4885NPC1 1185/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDR 1240/4885FYN 217/4885NPC1 1185/4885

“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.