SCHEMBL15535152

SCHEMBL15535152

Nc1cc(C2CCNCC2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
TLR9 Q9NR96 7/20 0.52
TLR8 Q9NR97 7/20 0.52
TLR7 Q9NYK1 7/20 0.52
QDPR P09417 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HTR2C P28335 6/20 0.46
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
MAP3K12 Q12852 1/20 0.41

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
SCHEMBL30480288 0.90 MKNK1 (0.49) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL3178410 0.87 NOS3 (0.45) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL29940481 0.87 NOS3 (0.45) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL22272915 0.83 BACE1 (0.49) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL24692545 0.81 BACE1 (0.51) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL30279702 0.81 BACE1 (0.51) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL19723895 0.81 BACE1 (0.51) MKNK1MKNK2TLR9TLR8TLR7
Bromide SCHEMBL28072385 0.80 BACE1 (0.50) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL5584524 0.79 TLR7 (0.56) TLR9TLR8TLR7QDPRHTR2C
SCHEMBL31510721 0.79 QDPR (0.56) TLR9TLR8TLR7QDPRHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852584-B1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
EP-2852584-B1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
EP-2852584-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2015-04-01 EP disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 US disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 US disclosed
CN-104271566-A Substituted dipyridylamines and uses thereof HOFFMANN LA ROCHE 2015-01-07 CN disclosed
WO-2013174780-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 WO disclosed
WO-2013174780-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 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-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF PDXK, PRMT1, DMPK MKNK1 121/4885MKNK2 124/4885TLR9 2524/4885

“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.