SCHEMBL2274883

SCHEMBL2274883

CC(=O)N1CCN(c2cccc(-c3cnc4[nH]cc(C(=O)C5(C)CCCCC5)c4n3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
USP2 O75604 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
JAK3 P52333 9/20 0.39
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2275354 0.92 JAK3 (0.40) MAPK1JAK3CYP2C9SYKPRKCI
SCHEMBL2275232 0.92 JAK3 (0.40) MAPK1JAK3CYP2C9SYKPRKCI
SCHEMBL2278185 0.91 JAK3 (0.40) CYP2D6MAPK1JAK3CYP2C9SYK
SCHEMBL2277225 0.91 MAP4K1 (0.43) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL2277366 0.90 PRKCI (0.46) CYP2D6JAK3CYP2C9SYKPRKCI
SCHEMBL2275100 0.89 ATR (0.47) JAK3SYKJAK2
SCHEMBL2277453 0.89 ADORA2A (0.42) MAPK1SMN1; SMN2JAK3MEN1TSHR
SCHEMBL2282029 0.89 MAPT (0.39) CYP2D6HSD17B10MAPK1ALDH1A1JAK3
SCHEMBL2275246 0.88 CYP2C9 (0.40) USP2CYP1A2HSD17B10MAPK1SMN1; SMN2
SCHEMBL2276821 0.88 PRKCI (0.37) MAPK1JAK3CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
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 (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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 FLT3 41/4885CDK1 354/4885CCNB1 2337/4885

“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.