Sugi Predict

Sugi Predict / Compounds / SCHEMBL5406569

SCHEMBL5406569

SCHEMBL5406569

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 17/20 0.58
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2E1 P05181 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP4B1 P13584 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP3A5 P20815 1/20 0.40
▸ CYP2A7 P20853 1/20 0.40
▸ CYP3A7 P24462 1/20 0.40
▸ CYP2F1 P24903 1/20 0.40
▸ CYP2C18 P33260 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP2J2 P51589 1/20 0.40

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
SCHEMBL5418485 0.89 CRHR1 (0.63) CRHR1
SCHEMBL5411966 0.89 CRHR1 (0.63) CRHR1
SCHEMBL6076033 0.88 CRHR1 (0.57) CRHR1
SCHEMBL5414711 0.88 CRHR1 (0.45) CRHR1
SCHEMBL5434060 0.87 CRHR1 (0.48) CRHR1
SCHEMBL5409866 0.87 CRHR1 (0.46) CRHR1
SCHEMBL5417755 0.87 CRHR1 (0.58) CRHR1
SCHEMBL5423316 0.87 CRHR1 (0.63) CRHR1ADORA2AADORA1CYP1A1CYP1A2
SCHEMBL5438215 0.85 CRHR1 (0.49) CRHR1
SCHEMBL5404638 0.85 CRHR1 (0.57) CRHR1ADORA2AADORA1CYP1A1CYP1A2

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 10 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
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 — — EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 — — 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 (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 1/4885ADORA2A 232/4885ADORA1 255/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885ADORA2A 232/4885ADORA1 255/4885

“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.