Sugi Predict

Sugi Predict / Compounds / SCHEMBL3842498

SCHEMBL3842498

SCHEMBL3842498

Cc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)c(C)nc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CRHR1 P34998 2/20 0.43
▸ MMP1 P03956 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP8 P22894 2/20 0.38
▸ IRAK4 Q9NWZ3 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ GUCY1B2 O75343 1/20 0.36
▸ GUCY1A2 P33402 1/20 0.36
▸ GUCY1A1 Q02108 1/20 0.36
▸ GUCY1B1 Q02153 1/20 0.36

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
SCHEMBL6669380 0.88 CRHR1 (0.43) AURKARPS6KB1CYP3A4CYP2C9CRHR1
SCHEMBL3838008 0.88 CRHR1 (0.43) AURKARPS6KB1CYP3A4CYP2C9CRHR1
SCHEMBL3840681 0.88 AURKA (0.40) AURKARPS6KB1CYP3A4CYP2C9CRHR1
SCHEMBL3839119 0.87 CRHR1 (0.46) AURKARPS6KB1CRHR1
SCHEMBL3841610 0.87 AURKA (0.41) AURKARPS6KB1CYP3A4CYP2C9CRHR1
SCHEMBL3842329 0.87 CRHR1 (0.46) AURKARPS6KB1CRHR1
SCHEMBL3842059 0.82 AURKA (0.47) AURKARPS6KB1CYP3A4CYP2C9CRHR1
SCHEMBL3845342 0.78 CRHR1 (0.46) AURKARPS6KB1CRHR1
SCHEMBL6649037 0.78 CRHR1 (0.46) AURKARPS6KB1CRHR1
SCHEMBL3843531 0.78 CRHR1 (0.46) AURKARPS6KB1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 — — EP disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 — — US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 — — US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 — — US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 — — EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 — — US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 — — 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A AURKA 3180/4885RPS6KB1 2006/4885CYP3A4 202/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A AURKA 3180/4885RPS6KB1 2006/4885CYP3A4 202/4885

“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.