SCHEMBL2377916

SCHEMBL2377916

CCCC[Sn](CCCC)(CCCC)c1cc(OCC2CC2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 2/20 0.36
PARP10 Q53GL7 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4D Q08499 1/20 0.35
LNPEP Q9UIQ6 1/20 0.34
CYP2C9 P11712 2/20 0.33
MTNR1A P48039 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
BACE1 P56817 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
TLR4 O00206 1/20 0.32
TLR2 O60603 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
SCHEMBL2380155 0.80 CFTR (0.38) LNPEP
SCHEMBL30225266 0.80 PARP15 (0.41) PARP15PARP10MAOAMAOBCYP2C9
SCHEMBL29693665 0.80 CCR1 (0.46) CYP2C9
SCHEMBL2379614 0.80 CCR1 (0.46) CYP2C9
SCHEMBL30225362 0.78 CCNK (0.41)
SCHEMBL30225298 0.77 HTT (0.37) CYP2C9
SCHEMBL30225309 0.75 ATP1A1 (0.33) PDE4APDE4DLNPEPCYP2C9
SCHEMBL30225302 0.74 SPHK1 (0.34) PDE4APDE4DLNPEP
SCHEMBL12247660 0.73 MAOA (0.46) PARP15PARP10MAOAMAOBCYP2C9
SCHEMBL29851063 0.71 KDM4E (0.43) CYP2C9

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 4 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
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
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK PARP15 473/4885PARP10 719/4885MAOA 2510/4885

“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.