SCHEMBL6775223

SCHEMBL6775223

Cc1nc(Cl)c2c(C)nc(-c3ccc(Cl)cc3Cl)c-2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.42
DPP4 P27487 5/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CNR1 P21554 1/20 0.36

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
SCHEMBL7041005 0.82 HSD11B1 (0.45) CRHR1DPP4ALDH1A1HTTHSD11B1
SCHEMBL6776302 0.81 CRHR1 (0.45) CRHR1DPP4
SCHEMBL6552000 0.78 CNR1 (0.47) DPP4ALDH1A1HSD11B1CNR1
SCHEMBL6778918 0.77 CRHR1 (0.55) CRHR1
SCHEMBL6778089 0.77 CRHR1 (0.55) CRHR1DPP4
Hydrochloric Acid SCHEMBL6783459 0.76 CRHR1 (0.54) CRHR1DPP4
SCHEMBL6777300 0.76 CRHR1 (0.52) CRHR1
SCHEMBL6779043 0.73 CRHR1 (0.60) CRHR1
SCHEMBL7046189 0.72 HSD11B1 (0.47) DPP4ALDH1A1HSD11B1HSP90AA1HSP90AB1
SCHEMBL4973922 0.70 CRHR1 (0.37) CRHR1DPP4ALDH1A1HSD11B1HSP90AA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734185-B2 Pyrrolo[3,4-d]pyrimidines as corticotropin releasing factor (CRF) antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-05-11 US disclosed
US-20030220333-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists BAKTHAVATCHALAM RAJAGOPAL (US) 2003-11-27 US disclosed
US-6630476-B2 For therapy of anxiety, depression, and other psychiatric, neurological disorders, immunological, cardiovascular or heart-related diseases and colonic hypersensitivity associated with psychopathological disturbance and stress BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-07 US disclosed
US-20020022632-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-21 US 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 (2 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-20020022632-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885DPP4 1070/4885ALDH1A1 1931/4885
US-20030220333-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885DPP4 1189/4885ALDH1A1 2124/4885

“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.