SCHEMBL14738579

SCHEMBL14738579

CC(C)(O)c1cccc2cn[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.50
CHEK1 O14757 2/20 0.47
AURKA O14965 2/20 0.47
DAPK3 O43293 2/20 0.47
MAP4K4 O95819 2/20 0.47
CSF1R P07333 2/20 0.47
RET P07949 2/20 0.47
FGFR1 P11362 2/20 0.47
PDGFRA P16234 2/20 0.47
LTK P29376 2/20 0.47
KDR P35968 2/20 0.47
MAP2K2 P36507 2/20 0.47
FLT3 P36888 2/20 0.47
CSNK1A1 P48729 2/20 0.47
PRKX P51817 2/20 0.47
CDK5 Q00535 2/20 0.47
MAP2K1 Q02750 2/20 0.47
MST1R Q04912 2/20 0.47
PTK2 Q05397 2/20 0.47
PRKAA1 Q13131 2/20 0.47

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
SCHEMBL6983718 0.85 NOS1 (0.53) NOS1CHEK1AURKADAPK3MAP4K4
SCHEMBL11577370 0.79 NOS1 (0.60) NOS1CHEK1AURKADAPK3MAP4K4
SCHEMBL22430426 0.79 NOS1 (0.47) NOS1CHEK1AURKADAPK3MAP4K4
SCHEMBL4477406 0.78 NOS1 (0.53) NOS1CHEK1AURKADAPK3MAP4K4
SCHEMBL20078879 0.77 NOS1 (0.45) NOS1CHEK1AURKADAPK3MAP4K4
SCHEMBL26121886 0.76 MAPT (0.41) NOS1CHEK1AURKADAPK3MAP4K4
Methylene Chloride SCHEMBL27730596 0.72 NOS1 (0.51) NOS1CHEK1AURKADAPK3MAP4K4
SCHEMBL21105666 0.71 PLK4 (0.64) NOS1CHEK1AURKADAPK3MAP4K4
SCHEMBL1911926 0.71 NOS1 (0.59) NOS1CHEK1AURKADAPK3MAP4K4
SCHEMBL29468200 0.71 NOS1 (0.59) NOS1CHEK1AURKADAPK3MAP4K4

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 11 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-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
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US 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
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
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US 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 NOS1 639/4885CHEK1 1685/4885AURKA 847/4885

“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.