SCHEMBL5724381

SCHEMBL5724381

CCn1c(-c2ccc(N(C)C)cc2Cl)nc(C)c(N2C[C@H](OC)C[C@H]2COC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.40
TACR1 P25103 1/20 0.35
TACR3 P29371 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CASP3 P42574 2/20 0.32
CASP7 P55210 2/20 0.32
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL5724207 0.92 CRHR1 (0.35) CRHR1TACR1TACR3ADORA2AADORA1
SCHEMBL5724242 0.90 TACR1 (0.36) CRHR1TACR1TACR3ADORA2AADORA1
SCHEMBL5724420 0.90 CRHR1 (0.48) CRHR1TACR1TACR3ADORA2AADORA1
SCHEMBL5724204 0.89 CRHR1 (0.43) CRHR1TACR1TACR3ADORA2AADORA1
SCHEMBL5724400 0.87 TACR1 (0.36) CRHR1TACR1TACR3ADORA2AADORA1
SCHEMBL5724385 0.86 TACR1 (0.41) CRHR1TACR1TACR3ADORA2AADORA1
SCHEMBL5725756 0.83 TACR1 (0.35) CRHR1TACR1TACR3ADORA2AADORA1
SCHEMBL5724586 0.82 CRHR1 (0.43) CRHR1TACR1TACR3ADORA2AADORA1
SCHEMBL5724448 0.81 CRHR1 (0.42) CRHR1ADORA2AADORA1CASP3CASP7
SCHEMBL5724470 0.81 CRHR1 (0.35) CRHR1ADORA2AADORA1CASP3CASP7

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 1/4885TACR1 17/4885TACR3 153/4885

“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.