SCHEMBL5872518

SCHEMBL5872518

Cc1cc(O)n2ncc(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.58
RAB9A P51151 8/20 0.50
NPC1 O15118 8/20 0.50
KDM4E B2RXH2 7/20 0.50
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DPP4 P27487 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL3189871 0.89 CRHR1 (0.47) CRHR1RAB9ANPC1KDM4EMAPT
SCHEMBL5872511 0.76 CRHR1 (0.61) CRHR1RAB9ANPC1KDM4EMAPT
SCHEMBL3188128 0.75 MAPT (0.62) CRHR1RAB9ANPC1KDM4EMAPT
SCHEMBL22520826 0.74 MAPT (0.55) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL5872524 0.74 CRHR1 (0.49) CRHR1RAB9ANPC1KDM4EMAPT
SCHEMBL5946531 0.74 CRHR1 (0.52) CRHR1RAB9ANPC1KDM4EMAPT
SCHEMBL11931414 0.73 RAB9A (0.54) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL22520981 0.72 RAB9A (0.71) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL9220346 0.72 KDM4E (0.42) CRHR1RAB9ANPC1KDM4EMAPT
SCHEMBL5599376 0.71 CRHR1 (0.72) CRHR1

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 CRHR1 1/4885RAB9A 2229/4885NPC1 924/4885
US-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists HTR5A, OPRL1, CRHR1 CRHR1 3/4885RAB9A 1650/4885NPC1 2482/4885
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, OPRL1 CRHR1 1/4885RAB9A 3478/4885NPC1 887/4885

“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.