SCHEMBL2277428

SCHEMBL2277428

CC1(C(Cc2ccccc2)NS(C)(=O)=O)CCNC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.36
ITGA4 P13612 8/20 0.36
ITGB7 P26010 6/20 0.36
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HTR2A P28223 1/20 0.33
MEN1 O00255 1/20 0.32
RORC P51449 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
SCHEMBL7248698 0.79 KMT2A (0.35) ITGB1ITGA4ITGB7POLBKMT2A
SCHEMBL2281019 0.78 ATM (0.41) ITGB1ITGA4ITGB7POLBKMT2A
SCHEMBL2281947 0.74 ATM (0.48) KMT2A
SCHEMBL12204100 0.66 SIGMAR1 (0.57) KMT2AMEN1
SCHEMBL5187448 0.66 SIGMAR1 (0.57) KMT2AMEN1
SCHEMBL12204083 0.66 SIGMAR1 (0.57) KMT2AMEN1
SCHEMBL4624729 0.65 SLC6A2 (0.48) POLBPLGPLAUPLAT
SCHEMBL6978469 0.63 OPRM1 (0.42) KMT2AHTR2AMEN1
SCHEMBL2917309 0.62 POLB (0.41) POLBKMT2APLGPLAUPLAT
SCHEMBL2917307 0.62 POLB (0.41) POLBKMT2APLGPLAUPLAT

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-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
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
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 ITGB1 4152/4885ITGA4 4301/4885ITGB7 3904/4885

“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.