SCHEMBL7590936

SCHEMBL7590936

CCC(CC)Nc1ncnc2c(-c3c(C)cc(C)cc3C)cn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.39
CRHR1 P34998 13/20 0.38
PDE1A P54750 1/20 0.36
PDE1C Q14123 1/20 0.36
TP53 P04637 1/20 0.34
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
LPAR1 Q92633 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL7591990 0.93 TP53 (0.43) PDE1BCRHR1PDE1APDE1CTP53
SCHEMBL5788491 0.83 CRHR1 (0.48) CRHR1
SCHEMBL7582431 0.77 CRHR1 (0.52) CRHR1TP53
SCHEMBL5789972 0.76 CRHR1 (0.49) CRHR1
SCHEMBL7562834 0.74 CRHR1 (0.45) CRHR1TP53
SCHEMBL7563165 0.74 CRHR1 (0.33) CRHR1
SCHEMBL7591216 0.74 TP53 (0.43) PDE1BCRHR1PDE1APDE1CTP53
SCHEMBL7564260 0.72 CRHR1 (0.47) PDE1BCRHR1
SCHEMBL7565694 0.72 ALDH1A1 (0.37) CRHR1
SCHEMBL5787052 0.70 CRHR1 (0.40) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020065290-A1 Novel deazapurine derivatives: a new class of CRF1 specific ligands NEUROGEN CORPORATION 2002-05-30 US claimed
EP-0770080-B1 NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS NEUROGEN CORP (US) 1999-07-14 EP claimed
US-5644057-A Deazapurine derivatives; a new class of CRF1 specific ligands NEUROGEN CORPORATION (US) 1997-07-01 US claimed
US-6495688-B2 USED AS CORTICOTROPIN-RELEASING FACTOR (CRF) ANTAGONISTS, IN THERAPY AND DIAGNOSIS OF STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2002-12-17 US disclosed
US-20020065290-A1 Novel deazapurine derivatives: a new class of CRF1 specific ligands NEUROGEN CORPORATION 2002-05-30 US disclosed
US-6281220-B1 PYRROLO(3,2-D)PYRIMIDIN-4-AMINES AND PYRROLO(3,2-B)PYRIDIN-4-AMINES, AND THEIR USE AS ANTAGONISTS OF CORTICOTROPIN-RELEASING FACTOR NEUROGEN CORPORATION 2001-08-28 US disclosed
US-6020492-A Deazapurine derivatives; a new class of CRF1 specific ligands NEUROGEN CORPORATION (US) 2000-02-01 US disclosed
EP-0770080-B1 NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS NEUROGEN CORP (US) 1999-07-14 EP disclosed
US-5644057-A Deazapurine derivatives; a new class of CRF1 specific ligands NEUROGEN CORPORATION (US) 1997-07-01 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 (1 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-20020065290-A1 Novel deazapurine derivatives: a new class of CRF1 specific ligands CRHR1, CRH, CRHR2 PDE1B 552/4885CRHR1 1/4885PDE1A 421/4885

“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.