SCHEMBL2905797

SCHEMBL2905797

c1ccc(CCNc2nc(-c3ccccn3)nc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 1.00
KMT2A Q03164 4/20 1.00
TDP1 Q9NUW8 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
JAK2 O60674 1/20 1.00
PPP1CA P62136 1/20 1.00
MEN1 O00255 3/20 0.76
NPC1 O15118 2/20 0.76
PDE5A O76074 4/20 0.74
KDM4E B2RXH2 1/20 0.67
MAPK1 P28482 1/20 0.67
METAP2 P50579 2/20 0.65
GBA1 P04062 2/20 0.62
HIF1A Q16665 1/20 0.62
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
APP P05067 2/20 0.59

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
SCHEMBL2908125 0.86 KMT2A (1.00) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL12674275 0.85 METAP1 (1.00) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL12674359 0.82 METAP1 (0.71) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL1085431 0.82 PDE5A (1.00) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL12674349 0.81 METAP1 (0.69) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL12674472 0.81 METAP1 (0.78) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL22201643 0.80 KDM4E (1.00) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL7613509 0.79 METAP1 (0.67) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL7610714 0.79 METAP1 (0.67) METAP1KMT2ATDP1L3MBTL1JAK2
SCHEMBL5125720 0.79 METAP1 (0.65) METAP1KMT2ATDP1L3MBTL1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124649-A1 INHIBITORS OF HUMAN METHIONINE AMINOPEPTIDASE 1 AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-05-26 US disclosed
EP-1966184-B1 PYRIDINYL-QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-08-25 EP disclosed
US-20090306102-A1 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES NEUROSEARCH A/S (DK) 2009-12-10 US disclosed
WO-2009064388-A2 INHIBITORS OF HUMAN METHIONINE AMINOPEPTIDASE 1 AND METHODS OF TREATING DISORDERS LIU JUN O (US) 2009-05-22 WO disclosed
EP-1966184-A2 PYRIDINYL-QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-09-10 EP disclosed
WO-2007071632-A2 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES NEUROSEARCH A/S (DK) 2007-06-28 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 (2 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-20090306102-A1 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES KCNJ2, KCNQ1, KCNK2 METAP1 4254/4885KMT2A 919/4885TDP1 3156/4885
US-20110124649-A1 INHIBITORS OF HUMAN METHIONINE AMINOPEPTIDASE 1 AND METHODS OF TREATING DISORDERS METAP1, DNPEP, METAP2 METAP1 1/4885KMT2A 1901/4885TDP1 590/4885

“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.