SCHEMBL5724448

SCHEMBL5724448

CCn1c(-c2ccc(OC)cc2C)nc(C)c(N2C[C@H](OC)C[C@H]2COC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.42
PDE10A Q9Y233 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL5726064 0.91 CRHR1 (0.40) CRHR1PDE10AADORA2AADORA1CASP3
SCHEMBL5724204 0.91 CRHR1 (0.43) CRHR1PDE10AADORA2AADORA1
SCHEMBL5724157 0.89 CRHR1 (0.40) CRHR1ADORA2AADORA1CASP3CASP7
SCHEMBL5724470 0.85 CRHR1 (0.35) CRHR1PDE10AADORA2AADORA1CASP3
SCHEMBL5724615 0.82 CRHR1 (0.42) CRHR1PDE10AADORA2AADORA1
SCHEMBL5724197 0.81 PIK3CA (0.34) CRHR1ADORA2AADORA1CASP3CASP7
SCHEMBL5724381 0.81 CRHR1 (0.40) CRHR1ADORA2AADORA1CASP3CASP7
SCHEMBL5724560 0.81 CRHR1 (0.40) CRHR1ADORA2AADORA1CASP3CASP7
SCHEMBL5724385 0.80 TACR1 (0.41) CRHR1ADORA2AADORA1CASP3CASP7
SCHEMBL5724921 0.80 CRHR1 (0.41) CRHR1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620428-A1 SUBSTITUTED PYRIMIDINONES AND PYRIMIDINTHIONES AS CRF ANTAGONISTS Pharmacia & Upjohn Company LLC (US) 2006-02-01 EP claimed
US-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones PFIZER INC 2005-06-30 US claimed
WO-2004094408-A1 SUBSTITUTED PYRIMIDINONES AND PYRIMIDINTHIONES AS CRF ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-04 WO claimed
EP-1620428-A1 SUBSTITUTED PYRIMIDINONES AND PYRIMIDINTHIONES AS CRF ANTAGONISTS Pharmacia & Upjohn Company LLC (US) 2006-02-01 EP disclosed
US-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones PFIZER INC 2005-06-30 US disclosed
WO-2004094408-A1 SUBSTITUTED PYRIMIDINONES AND PYRIMIDINTHIONES AS CRF ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-04 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-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones CRHR1, CRH, CRHR2 CRHR1 1/4885PDE10A 1489/4885ADORA2A 178/4885

“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.