SCHEMBL5872530

SCHEMBL5872530

CCOc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(SC)nn12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.47
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5600115 0.76 CRHR1 (0.55) CRHR1
SCHEMBL5872493 0.73 CRHR1 (0.80) CRHR1
SCHEMBL5872445 0.73 CRHR1 (0.73) CRHR1
SCHEMBL6049666 0.69 GSK3A (0.47) CRHR1KDM4EHPGD
SCHEMBL5600192 0.65 CRHR1 (0.84) CRHR1
SCHEMBL16606731 0.63 CRHR1 (1.00) CRHR1
SCHEMBL7140515 0.63 HTR6 (0.61) HTR6
SCHEMBL6049455 0.63 HSP90AA1 (0.53) CRHR1KDM4EALDH1A1HPGD
SCHEMBL7434787 0.62 CRHR1 (0.57) CRHR1
SCHEMBL5728817 0.62 CRHR1 (0.82) CRHR1KDM4E

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 1/4885HTR6 5/4885KDM4E 2814/4885
US-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists HTR5A, OPRL1, CRHR1 CRHR1 3/4885HTR6 39/4885KDM4E 3366/4885
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, OPRL1 CRHR1 1/4885HTR6 8/4885KDM4E 3509/4885

“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.