SCHEMBL5872525

SCHEMBL5872525

Nc1n[nH]cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MGAM O43451 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SI P14410 1/20 0.45
RAB9A P51151 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
LMNA P02545 2/20 0.42
DPP4 P27487 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
AHR P35869 1/20 0.41
ALPL P05186 3/20 0.41
HSD11B1 P28845 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
SCHEMBL4338636 0.80 HSD11B1 (0.47) HSP90AA1HSP90AB1KDM4EDPP4AHR
SCHEMBL10769072 0.79 MAPT (0.44) HSP90AA1HSP90AB1GAAKDM4EMGAM
SCHEMBL953237 0.75 ALPL (0.52) KDM4EALDH1A1RAB9ATSHRALPL
SCHEMBL9735461 0.75 IKBKB (0.46) KDM4EALDH1A1RAB9AALPLHPGD
SCHEMBL29624840 0.74 AHR (0.64) HSP90AA1HSP90AB1GAAKDM4EMGAM
SCHEMBL464507 0.74 AHR (0.64) HSP90AA1HSP90AB1GAAKDM4EMGAM
SCHEMBL8746755 0.73 MAPT (0.49) HSP90AA1HSP90AB1DPP4AHRALPL
SCHEMBL14237507 0.72 HSP90AA1 (0.50) HSP90AA1HSP90AB1GAAKDM4EMGAM
SCHEMBL14145097 0.71 HPGD (0.44) ALDH1A1RAB9ATSHRAHRALPL
SCHEMBL14054914 0.71 ITGB2 (0.59) HSP90AA1HSP90AB1GAAKDM4EMGAM

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-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2006-11-30 US disclosed
EP-0880523-B1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2006-08-16 EP disclosed
US-7074797-B2 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-11 US disclosed
US-20040127483-A1 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2004-07-01 US disclosed
US-6664261-B2 Endocrine, psychiatric and neurologic disorders from hypersecretion of corticotropin-releasing factor NEUROCRINE BIOSCIENCES, INC. 2003-12-16 US disclosed
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. 2003-07-03 US disclosed
EP-0880523-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-02 EP disclosed
WO-1997029109-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-14 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-20040127483-A1 Pyrazolopyrimidines as CRF receptor antagonists CRHR1, CRHR2, CRH HSP90AA1 2929/4885HSP90AB1 3508/4885GAA 4437/4885
US-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists HTR5A, OPRL1, CRHR1 HSP90AA1 3785/4885HSP90AB1 4249/4885GAA 4664/4885
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, OPRL1 HSP90AA1 2310/4885HSP90AB1 3045/4885GAA 4541/4885

“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.