SCHEMBL1896786

SCHEMBL1896786

COc1cccc(C2=C(c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)CCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.49
SYK P43405 5/20 0.42
TYRO3 Q06418 1/20 0.42
CYP2C9 P11712 1/20 0.42
NEK1 Q96PY6 1/20 0.40
PRKDC P78527 1/20 0.40
ATR Q13535 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
PLK1 P53350 1/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL2280186 0.90 JAK3 (0.58) JAK3SYKTYRO3CYP2C9NEK1
SCHEMBL1887883 0.86 JAK3 (0.51) JAK3SYKJAK2JAK1CYP2D6
SCHEMBL2280667 0.81 JAK3 (0.50) JAK3SYKTYRO3CYP2C9NEK1
SCHEMBL2272592 0.80 SYK (0.53) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL1894044 0.80 JAK3 (0.51) JAK3SYKTYRO3CYP2C9NEK1
SCHEMBL2275295 0.80 JAK3 (0.57) JAK3SYKCYP2C9MAPTJAK2
SCHEMBL2273646 0.80 JAK3 (0.57) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL3396668 0.80 KIT (0.36) JAK3TYRO3CYP2C9NEK1PRKDC
SCHEMBL1892633 0.78 JAK3 (0.50) JAK3SYKTYRO3CYP2C9JAK2
SCHEMBL2277782 0.78 JAK3 (0.55) JAK3SYKCYP2C9MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US claimed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 7/4885SYK 1/4885TYRO3 33/4885

“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.