SCHEMBL4173703

SCHEMBL4173703

COc1ccc(-c2cnn3c(N)c(-c4ccccc4)c(C)nc23)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.81
KMT2A Q03164 9/20 0.81
MEN1 O00255 8/20 0.81
CASP3 P42574 2/20 0.81
SENP8 Q96LD8 2/20 0.81
SENP7 Q9BQF6 2/20 0.81
SENP6 Q9GZR1 2/20 0.81
RAB9A P51151 10/20 0.81
RXFP1 Q9HBX9 1/20 0.81
BLM P54132 1/20 0.74
NCOA1 Q15788 1/20 0.74
NCOA3 Q9Y6Q9 1/20 0.74
MAPT P10636 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPK1 P28482 2/20 0.61
STAT1 P42224 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HPGD P15428 4/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 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
SCHEMBL4173777 1.00 NPC1 (0.81) NPC1KMT2AMEN1CASP3SENP8
SCHEMBL17457001 0.90 NPC1 (1.00) NPC1KMT2AMEN1CASP3SENP8
SCHEMBL4175421 0.89 KMT2A (1.00) NPC1KMT2AMEN1CASP3SENP8
SCHEMBL4173646 0.89 NPC1 (0.79) NPC1KMT2AMEN1CASP3SENP8
SCHEMBL4178628 0.87 KMT2A (0.69) NPC1KMT2AMEN1CASP3SENP8
SCHEMBL4185031 0.85 NPC1 (0.85) NPC1KMT2AMEN1CASP3SENP8
SCHEMBL4163202 0.82 KMT2A (0.74) NPC1KMT2AMEN1CASP3SENP8
SCHEMBL4184434 0.79 NPC1 (0.72) NPC1KMT2AMEN1CASP3SENP8
SCHEMBL4168402 0.78 KMT2A (0.58) NPC1KMT2AMEN1CASP3SENP8
SCHEMBL4179850 0.74 FYN (0.71) NPC1KMT2AMEN1CASP3SENP8

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 NPC1 1374/4885KMT2A 3248/4885MEN1 4377/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 NPC1 1185/4885KMT2A 1110/4885MEN1 1174/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 NPC1 1185/4885KMT2A 1110/4885MEN1 1174/4885

“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.