SCHEMBL2277604

SCHEMBL2277604

CC1(C)CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.41
LPL P06858 7/20 0.41
ROCK1 Q13464 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
USP2 O75604 5/20 0.34
HSD17B10 Q99714 5/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2D6 P10635 4/20 0.34
CYP3A4 P08684 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
BACE1 P56817 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL16238539 0.86 LPL (0.39) LIPGLPLROCK1IRAK4USP2
SCHEMBL1701553 0.82 LPL (0.44) LIPGLPLROCK1IRAK4HSD17B10
SCHEMBL22465889 0.82 LPL (0.44) LIPGLPLP4HB
SCHEMBL1726528 0.82 LPL (0.44) LIPGLPLROCK1IRAK4USP2
SCHEMBL12300472 0.82 USP2 (0.31) USP2HSD17B10CYP1A2CYP2D6CYP3A4
SCHEMBL3762658 0.81 LPL (0.43) LIPGLPLROCK1IRAK4USP2
SCHEMBL2192867 0.81 LPL (0.43) LIPGLPLROCK1IRAK4USP2
SCHEMBL29182774 0.81 LIPG (0.34) LIPGLPLROCK1USP2HSD17B10
SCHEMBL9886018 0.81 CHRNB2 (0.42) LIPGLPLIRAK4USP2HSD17B10
SCHEMBL856181 0.80 LMNA (0.46) LIPGLPLUSP2HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK LIPG 3995/4885LPL 4542/4885ROCK1 324/4885
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 LIPG 4267/4885LPL 4661/4885ROCK1 279/4885

“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.