SCHEMBL14917231

SCHEMBL14917231

CN(C)C=Nc1ncc(Cl)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
HBB P68871 1/20 0.39
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 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
SCHEMBL15711985 1.00 PLAU (0.50) PLAUMAPTL3MBTL1HSD17B10KMT2A
SCHEMBL14917230 1.00 PLAU (0.50) PLAUMAPTL3MBTL1HSD17B10KMT2A
SCHEMBL1355117 0.83 PLAU (0.47) PLAUMAPTL3MBTL1HSD17B10KMT2A
SCHEMBL1355119 0.83 PLAU (0.47) PLAUMAPTL3MBTL1HSD17B10KMT2A
SCHEMBL16926828 0.80 MAPT (0.40) PLAUMAPTL3MBTL1HSD17B10KMT2A
SCHEMBL22271023 0.77 PLAU (0.50) PLAUMAPTL3MBTL1HSD17B10KMT2A
SCHEMBL31541891 0.74 KMT2A (0.43) MAPTL3MBTL1HSD17B10KMT2AMAPK1
SCHEMBL14927124 0.73 PLAU (0.54) PLAUMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL14917059 0.73 PLAU (0.54) PLAUMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL14917060 0.73 PLAU (0.54) PLAUMAPK1ALDH1A1CYP1A2CYP3A4

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-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
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

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 PLAU 3841/4885MAPT 1911/4885L3MBTL1 3862/4885

“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.