SCHEMBL5564110

SCHEMBL5564110

Clc1ccnc2cc(-c3ccccc3)nn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
MAPT P10636 6/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.56
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
AURKA O14965 2/20 0.44
APP P05067 1/20 0.44
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL5385950 0.82 MAPT (0.46) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL16116481 0.80 MAPT (0.50) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL5564416 0.80 MAPT (0.61) NPC1RAB9AMAPTL3MBTL1KDM4E
SCHEMBL25284514 0.79 NPC1 (0.60) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL31131887 0.77 FYN (0.48) MAPTTHRBAURKAPDE4DFYN
SCHEMBL31131880 0.77 FYN (0.48) MAPTTHRBAURKAPDE4DFYN
SCHEMBL14881614 0.76 KMO (0.42) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL13263646 0.76 NPC1 (0.53) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL7063800 0.73 RAB9A (0.71) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL12789269 0.73 NPC1 (0.56) NPC1RAB9AMAPTL3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504004-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20050203106-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 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-20050203106-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 NPC1 8/4885RAB9A 1242/4885MAPT 696/4885

“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.