SCHEMBL5396405

SCHEMBL5396405

COc1ccc(Nc2nccn3c(Br)cnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AURKA O14965 5/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
YES1 P07947 1/20 0.43
SYK P43405 3/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ZAP70 P43403 1/20 0.41
MAPK1 P28482 2/20 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
SCHEMBL13321417 0.85 TTK (0.43) NPC1LMNATP53AURKAYES1
SCHEMBL3466981 0.83 SRC (0.56) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL11939502 0.82 BACE1 (0.44) LMNAAURKAHTTALDH1A1NPSR1
SCHEMBL3469708 0.82 TTK (0.52) AURKABACE1BACE2SRC
SCHEMBL24105215 0.82 SRC (0.49) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL30371440 0.82 SRC (0.49) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL12288576 0.82 BACE1 (0.44) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL30168199 0.80 HPGD (0.50) NPC1RAB9ATP53SMN1; SMN2AURKA
SCHEMBL11939101 0.80 LCK (0.43) SRC
SCHEMBL29106539 0.80 AURKA (0.47) NPC1RAB9ATP53SMN1; SMN2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 US disclosed
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 US disclosed
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 US disclosed
US-7157460-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-7157460-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 US disclosed
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors SUGEN, INC. 2004-11-04 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 (5 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 NPC1 2073/4885RAB9A 1795/4885LMNA 3481/4885
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES ABL1, LCK, SRC NPC1 3432/4885RAB9A 2862/4885LMNA 3509/4885
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors MAP3K8, MAP3K2, MAP3K5 NPC1 1512/4885RAB9A 927/4885LMNA 1858/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 NPC1 2073/4885RAB9A 1795/4885LMNA 3481/4885
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors MAP3K8, MAP4K4, MAP3K2 NPC1 2326/4885RAB9A 1427/4885LMNA 1812/4885

“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.