SCHEMBL5872477

SCHEMBL5872477

CCCCc1cc(NCCCOC)n2ncc(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.46
KMT2A Q03164 8/20 0.42
KDM4E B2RXH2 7/20 0.42
MAPT P10636 7/20 0.42
MEN1 O00255 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CTNNB1 P35222 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
CCR6 P51684 1/20 0.41
HTT P42858 2/20 0.39

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
SCHEMBL5872466 0.80 CRHR1 (0.61) CRHR1
SCHEMBL3198742 0.71 CRHR1 (0.54) CRHR1KMT2AKDM4EMAPTMEN1
SCHEMBL5872520 0.69 CRHR1 (0.75) CRHR1
SCHEMBL13122637 0.67 GSK3B (0.67) KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL5946531 0.66 CRHR1 (0.52) CRHR1KMT2AKDM4EMAPTMEN1
SCHEMBL13122654 0.64 GSK3B (0.63) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL5872524 0.62 CRHR1 (0.49) CRHR1KMT2AKDM4EMAPTMEN1
SCHEMBL14572802 0.61 GSK3B (0.71)
SCHEMBL17182829 0.61 GSK3B (0.44) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL5872518 0.60 CRHR1 (0.58) CRHR1KMT2AKDM4EMAPTMEN1

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 1/4885KMT2A 2931/4885KDM4E 2814/4885
US-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists HTR5A, OPRL1, CRHR1 CRHR1 3/4885KMT2A 3626/4885KDM4E 3366/4885
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, OPRL1 CRHR1 1/4885KMT2A 3023/4885KDM4E 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.