SCHEMBL14738281

SCHEMBL14738281

CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 6/20 0.36
CYP2C9 P11712 1/20 0.35
SYK P43405 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCNT1 O60563 5/20 0.34
CCNA2 P20248 5/20 0.34
CDK2 P24941 5/20 0.34
CDK9 P50750 5/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
NR3C1 P04150 1/20 0.34
PDE4B Q07343 1/20 0.34
CNR2 P34972 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL14738279 0.92 JAK2 (0.39) KDM5BCYP2C9SYKKCNH2IRAK4
SCHEMBL14738130 0.89 JAK2 (0.33) SYKKCNH2NR3C1
SCHEMBL14737449 0.88 JAK2 (0.41) SYKNR3C1PDE4BCNR2
SCHEMBL14738977 0.81 SYK (0.49) CYP2C9SYKKCNH2
SCHEMBL14737924 0.81 SYK (0.34) CYP2C9SYKNR3C1
Hydrochloric Acid SCHEMBL14737015 0.81 SYK (0.49) CYP2C9SYKKCNH2
SCHEMBL14738129 0.81 JAK2 (0.38) SYKKCNH2
SCHEMBL14738846 0.80 DGAT1 (0.32) PDE4BCNR2
SCHEMBL14737923 0.80 JAK2 (0.32) SYK
SCHEMBL14737448 0.79 JAK2 (0.47) SYK

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 (1 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KDM5B 501/4885CYP2C9 3710/4885SYK 1/4885

“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.