Sugi Predict

Sugi Predict / Compounds / SCHEMBL5415464

SCHEMBL5415464

SCHEMBL5415464

CCc1nc(-c2c(OC)cc(Cl)cc2OC)c(CC)nc1OC(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 16/20 0.44
▸ PLK4 O00444 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37

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
SCHEMBL5421161 0.86 CRHR1 (0.60) CRHR1PLK4CHEK1AURKANTRK1
SCHEMBL5406538 0.86 CRHR1 (0.40) CRHR1PLK4CHEK1AURKANTRK1
SCHEMBL5414915 0.84 CRHR1 (0.47) CRHR1
SCHEMBL5444215 0.82 CRHR1 (0.36) CRHR1PLK4CHEK1AURKANTRK1
SCHEMBL5418708 0.79 CRHR1 (0.42) CRHR1PLK4CHEK1AURKANTRK1
SCHEMBL5424976 0.77 CRHR1 (0.39) CRHR1
SCHEMBL6193486 0.77 CRHR1 (0.53) CRHR1PLK4CHEK1AURKANTRK1
SCHEMBL5406569 0.77 CRHR1 (0.58) CRHR1ALDH1A1
SCHEMBL5418994 0.76 CRHR1 (0.76) CRHR1
SCHEMBL5417755 0.76 CRHR1 (0.58) 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 1/4885PLK4 4236/4885CHEK1 4628/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885PLK4 4236/4885CHEK1 4628/4885

“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.