SCHEMBL2568280

SCHEMBL2568280

Nc1ncc2c(n1)CCN(Cc1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
DRD2 P14416 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MC4R P32245 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSP90AB1 P08238 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2580524 0.80 MEN1 (0.56) DHFRMEN1KMT2ANPC1RAB9A
SCHEMBL14990787 0.79 MAPT (0.72) TP53MAPTALDH1A1LMNAL3MBTL1
SCHEMBL7368142 0.77 MEN1 (0.51) DHFRMEN1KMT2ANPC1RAB9A
SCHEMBL1622960 0.77 HTR2C (0.59) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL1623382 0.75 HTR2C (0.65) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL19475611 0.75 MEN1 (0.60) DHFRMEN1KMT2ANPC1RAB9A
SCHEMBL29448370 0.75 MEN1 (0.60) DHFRMEN1KMT2ANPC1RAB9A
SCHEMBL20589389 0.75 C5AR1 (0.52) DHFRMEN1KMT2ANPC1RAB9A
SCHEMBL11069340 0.74 SIGMAR1 (0.61) MEN1KMT2ANPC1RAB9AHRH3
SCHEMBL1960380 0.73 SIGMAR1 (0.71) TP53SIGMAR1MC4RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 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 (3 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-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GNMT DHFR 769/4885MEN1 691/4885KMT2A 2973/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 DHFR 859/4885MEN1 1229/4885KMT2A 2883/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 DHFR 859/4885MEN1 1229/4885KMT2A 2883/4885

“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.