Sugi Predict

Sugi Predict / Compounds / SCHEMBL3068229

SCHEMBL3068229

SCHEMBL3068229

C#Cc1nc(-c2ccncc2F)c(-c2cccnc2)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 8/20 0.47
▸ CYP2C19 P33261 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ KDM4E B2RXH2 5/20 0.39
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADORA2A P29274 6/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NQO2 P16083 3/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ CDC7 O00311 1/20 0.35
▸ NUDT1 P36639 1/20 0.34

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
SCHEMBL3058845 0.87 ADORA2B (0.51) ADORA2BCYP2C19CYP3A4KDM4EGAA
SCHEMBL3063995 0.85 CYP3A4 (0.42) ADORA2BCYP2C19CYP3A4KDM4EGAA
SCHEMBL3058442 0.83 KDM4E (0.41) ADORA2BCYP2C19CYP3A4KDM4EGAA
SCHEMBL3066885 0.81 ADORA2B (0.42) ADORA2BCYP2C19CYP3A4KDM4EGAA
SCHEMBL3074203 0.81 CYP11B2 (0.43) ADORA2BCYP2C19CYP3A4KDM4EGAA
SCHEMBL3058556 0.81 ADORA2B (0.47) ADORA2BCYP2C19CYP3A4KDM4EGAA
SCHEMBL21934675 0.76 ADORA2B (0.48) ADORA2BCYP2C19CYP3A4KDM4EGAA
SCHEMBL30542506 0.76 ADORA2B (0.48) ADORA2BCYP2C19CYP3A4KDM4EGAA
SCHEMBL3061659 0.76 ADORA2B (0.57) ADORA2BCYP2C19CYP3A4KDM4EGAA
SCHEMBL3794193 0.74 KDM4E (0.44) ADORA2BCYP2C19CYP3A4KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 — — US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 — — US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 — — US disclosed
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 — — EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 — — 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-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885CYP2C19 1218/4885CYP3A4 1868/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885CYP2C19 466/4885CYP3A4 857/4885

“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.