SCHEMBL5409866

SCHEMBL5409866

CCc1nc(-c2ccc(F)cc2OC)c(CC)nc1OC(C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.46
KCNH2 Q12809 1/20 0.38
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
CTSA P10619 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35

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
SCHEMBL5406569 0.87 CRHR1 (0.58) CRHR1
SCHEMBL5434060 0.86 CRHR1 (0.48) CRHR1
SCHEMBL5421181 0.86 CRHR1 (0.48) CRHR1CTSA
SCHEMBL5412266 0.85 CRHR1 (0.61) CRHR1
SCHEMBL5424928 0.85 CRHR1 (0.62) CRHR1
SCHEMBL5438215 0.84 CRHR1 (0.49) CRHR1
SCHEMBL5411966 0.84 CRHR1 (0.63) CRHR1CTSA
SCHEMBL5418485 0.79 CRHR1 (0.63) CRHR1
SCHEMBL5406538 0.79 CRHR1 (0.40) CRHR1CDK2
SCHEMBL5438012 0.78 CRHR1 (0.59) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US disclosed
US-20050215559-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2005-09-29 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885KCNH2 2596/4885CDK2 1368/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885KCNH2 2596/4885CDK2 1368/4885

“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.