SCHEMBL5872485

SCHEMBL5872485

Cc1cc(O)n2nc(C)c(-c3ccc(N(C)C)nc3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.66
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL5872490 0.85 CRHR1 (0.66) CRHR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL1236614 0.83 CRHR1 (0.66) CRHR1
SCHEMBL29983967 0.83 CRHR1 (0.66) CRHR1
SCHEMBL5872537 0.80 CRHR1 (1.00) CRHR1
SCHEMBL13310492 0.77 MAPT (0.55) CRHR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL22520974 0.77 MAPT (0.74) CRHR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL23149684 0.77 CRHR1 (0.44) CRHR1KDM4E
SCHEMBL16946581 0.72 MAPT (0.69) CRHR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL23459969 0.71 CRHR1 (0.70) CRHR1
SCHEMBL29983877 0.71 CRHR1 (0.70) 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 1/4885MAPT 3927/4885MEN1 2827/4885
US-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists HTR5A, OPRL1, CRHR1 CRHR1 3/4885MAPT 4265/4885MEN1 2743/4885
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, OPRL1 CRHR1 1/4885MAPT 3859/4885MEN1 3346/4885

“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.