SCHEMBL14917062

SCHEMBL14917062

CN1CCn2nc(Nc3cc(Br)nn4ccnc34)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.51
BTK Q06187 3/20 0.46
MAP3K14 Q99558 1/20 0.34

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
SCHEMBL14917360 0.87 SYK (0.51) SYKBTKMAP3K14
SCHEMBL13303603 0.83 SYK (0.48) SYKBTK
SCHEMBL24375396 0.79 SYK (0.61) SYKBTK
SCHEMBL16357030 0.78 BTK (0.47) SYKBTK
SCHEMBL25013719 0.75 SYK (0.44) SYKBTK
SCHEMBL30755929 0.70 HDAC6 (0.32) SYK
SCHEMBL255155 0.69 BTK (0.43) SYKBTK
SCHEMBL17199555 0.69 BTK (0.58) SYKBTK
SCHEMBL2534368 0.68 SYK (1.00) SYK
SCHEMBL27054804 0.68 ROCK2 (0.39) SYKBTKMAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773640-B1 BICYCLIC PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
EP-2773640-B1 BICYCLIC PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
EP-2773640-A1 BICYCLIC PIPERAZINE COMPOUNDS Hoffmann-La Roche AG (CH) 2014-09-10 EP disclosed
US-8722676-B2 Bicyclic piperazine compounds GENENTECH, INC. (US) 2014-05-13 US disclosed
US-8722676-B2 Bicyclic piperazine compounds GENENTECH, INC. (US) 2014-05-13 US disclosed
US-8722676-B2 Bicyclic piperazine compounds GENENTECH, INC. (US) 2014-05-13 US disclosed
WO-2013067260-A1 BICYCLIC PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-10 WO disclosed
WO-2013067260-A1 BICYCLIC PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-10 WO disclosed
US-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS BTK, LCK, SYK SYK 3/4885BTK 1/4885MAP3K14 26/4885

“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.