SCHEMBL4179850

SCHEMBL4179850

COc1ccc(-c2cnn3c(N)c(-c4cccc(Cl)c4)c(C)nc23)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.71
NPC1 O15118 8/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
RAB9A P51151 7/20 0.54
RET P07949 6/20 0.54
KIF5B P33176 6/20 0.54
KDR P35968 5/20 0.54
ETV6 P41212 5/20 0.54
CCDC6 Q16204 4/20 0.54
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
NPM1 P06748 1/20 0.53
CSF1R P07333 1/20 0.53
LYN P07948 1/20 0.53
PDGFRB P09619 1/20 0.53

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
SCHEMBL4178858 0.90 FYN (0.57) FYNNPC1KMT2AMEN1CASP3
SCHEMBL4168402 0.88 KMT2A (0.58) FYNNPC1KMT2AMEN1CASP3
SCHEMBL4178628 0.88 KMT2A (0.69) FYNNPC1KMT2AMEN1CASP3
SCHEMBL4695093 0.87 FYN (0.68) FYNNPC1KMT2AMEN1CASP3
SCHEMBL4171882 0.87 KMT2A (0.59) FYNNPC1KMT2AMEN1CASP3
SCHEMBL4171927 0.87 FYN (0.67) FYNNPC1KMT2AMEN1CASP3
SCHEMBL4757041 0.86 FYN (0.53) FYNNPC1KMT2AMEN1CASP3
SCHEMBL4166019 0.86 NPC1 (0.60) FYNNPC1KMT2AMEN1CASP3
SCHEMBL13905642 0.85 FYN (0.52) FYNNPC1KMT2AMEN1CASP3
SCHEMBL13905658 0.83 MEN1 (0.61) FYNNPC1KMT2AMEN1CASP3

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 FYN 360/4885NPC1 1374/4885KMT2A 3248/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 FYN 217/4885NPC1 1185/4885KMT2A 1110/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 FYN 217/4885NPC1 1185/4885KMT2A 1110/4885

“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.