SCHEMBL209641

SCHEMBL209641

CNc1nc2cc(N)ccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HTT P42858 3/20 0.46
GFER P55789 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
RAD52 P43351 1/20 0.45
NSD2 O96028 1/20 0.43
BRPF1 P55201 2/20 0.42
PRKCI P41743 1/20 0.42
MEN1 O00255 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL5226280 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL14263360 0.81 KDM4E (0.43) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL4976587 0.80 KDM4E (0.63) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL2734327 0.79 KDM4E (0.52) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL25080562 0.79 NPC1 (0.44) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL16042846 0.79 MAPK1 (0.51) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL297992 0.78 KDM4E (0.60) KDM4EALDH1A1MAPTHSD17B10HTT
Hydrochloric Acid SCHEMBL6623126 0.78 KDM4E (0.51) KDM4EALDH1A1MAPTHSD17B10HTT
Hydrochloric Acid SCHEMBL28501510 0.77 KDM4E (0.43) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL6230772 0.76 SMN1; SMN2 (0.58) KDM4EALDH1A1MAPTHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 KDM4E 258/4885ALDH1A1 680/4885MAPT 3612/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 KDM4E 337/4885ALDH1A1 758/4885MAPT 3905/4885

“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.