SCHEMBL1368571

SCHEMBL1368571

CCCNC(=O)c1c[nH]c2ncc(-c3cccs3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
ATM Q13315 1/20 0.42
PBK Q96KB5 1/20 0.42
CAMK2D Q13557 1/20 0.42
SYK P43405 4/20 0.41
CYP2D6 P10635 3/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK3 P52333 2/20 0.41

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
SCHEMBL1370911 0.84 SYK (0.45) SYKCYP2D6JAK3JAK2JAK1
SCHEMBL1368569 0.83 JAK3 (0.57) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1370461 0.82 SYK (0.47) SYKCYP2D6CYP2C9KDM4ECYP3A4
SCHEMBL3395862 0.82 KDM4E (0.48) KDM4EHPGDSMN1; SMN2JAK3JAK2
SCHEMBL1896593 0.80 JAK3 (0.49) SYKCYP2D6KDM4EHPGDJAK3
SCHEMBL1370960 0.79 JAK2 (0.60) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2274733 0.79 HPGD (0.43) SYKCYP2D6HPGDSMN1; SMN2JAK3
SCHEMBL1368796 0.78 JAK3 (0.61) SYKCYP2D6CYP2C9JAK3JAK2
SCHEMBL1368698 0.78 JAK3 (0.61) SYKCYP2D6CYP2C9JAK3JAK2
SCHEMBL2282227 0.78 SYK (0.46) SYKCYP2D6CYP2C9JAK3JAK2

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-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US claimed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP claimed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO claimed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 ERCC1 4697/4885FEN1 3716/4885ERCC4 4672/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 ERCC1 4697/4885FEN1 3716/4885ERCC4 4672/4885

“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.