SCHEMBL7565694

SCHEMBL7565694

Cc1cc(C)c(-c2cn(C)c3c(N(C)C)ncnc23)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CRHR1 P34998 6/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
MAPK1 P28482 2/20 0.33
CHRM4 P08173 1/20 0.32
BRD4 O60885 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL7562834 0.85 CRHR1 (0.45) ALDH1A1KDM4EHTTCRHR1CYP1A2
SCHEMBL7564260 0.83 CRHR1 (0.47) CRHR1
SCHEMBL7563165 0.80 CRHR1 (0.33) KDM4ECRHR1BRD4
SCHEMBL7562041 0.80 CRHR1 (0.47) CRHR1
SCHEMBL7563197 0.80 CRHR1 (0.40) ALDH1A1KDM4EHPGDCRHR1MAPK1
SCHEMBL7562809 0.76 CRHR1 (0.47) CRHR1
SCHEMBL7561996 0.74 NPC1 (0.47) ALDH1A1TSHRKDM4EHPGDHTT
SCHEMBL7590936 0.72 PDE1B (0.39) CRHR1
SCHEMBL7591990 0.69 TP53 (0.43) ALDH1A1KDM4EHPGDCRHR1
SCHEMBL5787033 0.66 CRHR1 (0.36) KDM4EHTTCRHR1

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 11 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
WO-1996035689-A1 NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1996-11-14 WO 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
WO-1996035689-A1 NOVEL DEAZAPURINE DERIVATIVES; A NEW CLASS OF CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1996-11-14 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 (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 ALDH1A1 674/4885TSHR 667/4885KDM4E 3816/4885

“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.