SCHEMBL4182365

SCHEMBL4182365

Nc1n[nH]cc1-c1csc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.40
CYP2A6 P11509 3/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PDPK1 O15530 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
KDM1A O60341 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
APP P05067 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAOB P27338 1/20 0.36
CDC7 O00311 1/20 0.36

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
SCHEMBL4381193 0.78 CYP2A6 (0.54) ALDH1A1HPGDCYP2A6MAPTKDM1A
SCHEMBL13609460 0.75 HDAC2 (0.42) ALDH1A1HPGDCYP2A6MAPTKDM1A
SCHEMBL6003619 0.73 KDR (0.38) ALDH1A1HPGDMAPTKDM4EPDPK1
SCHEMBL22969597 0.73 CYP2A6 (0.40) ALDH1A1HPGDCYP2A6MAPTKDM4E
SCHEMBL29495741 0.73 CYP2A6 (0.40) ALDH1A1HPGDCYP2A6MAPTKDM4E
SCHEMBL398176 0.73 ALDH1A1 (0.52) ALDH1A1CYP2A6MAPTKDM4EGAA
SCHEMBL23773608 0.71 ALDH1A1 (0.43) ALDH1A1HPGDCYP2A6MAPTKDM1A
SCHEMBL9435365 0.71 DHFR (0.45) CYP2A6KDM1ACYP2C9CDC7
SCHEMBL11745392 0.70 DHFR (0.46) ALDH1A1HPGDMAPTKDM4EPDPK1
SCHEMBL2762871 0.69 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ECYP3A4GAA

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 5 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-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 ALDH1A1 578/4885HPGD 709/4885CYP2A6 3866/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885HPGD 2287/4885CYP2A6 1967/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885HPGD 2287/4885CYP2A6 1967/4885

“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.