SCHEMBL3419932

SCHEMBL3419932

CC(C)(C)Nc1nc(Cl)cc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ADORA1 P30542 6/20 0.48
IDH2 P48735 1/20 0.48
MAPT P10636 3/20 0.46
AGTR1 P30556 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ADORA3 P0DMS8 3/20 0.44
LMNA P02545 2/20 0.43
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 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
SCHEMBL3473073 0.81 TDP1 (0.76) KDM4EHSP90AA1HSP90AB1TDP1ADORA1
SCHEMBL9085029 0.78 SMN1; SMN2 (0.60) NPC1RAB9AIDH2MAPTSMN1; SMN2
SCHEMBL3289041 0.77 MAPT (0.55) KDM4EHSP90AA1HSP90AB1TDP1NPC1
SCHEMBL1733671 0.75 KDM4E (0.53) KDM4ETDP1ADORA1MAPTAGTR1
SCHEMBL3220814 0.74 MEN1 (0.59) KDM4EHSP90AA1HSP90AB1TDP1NPC1
SCHEMBL3261297 0.74 KDM4E (0.47) KDM4EHSP90AA1HSP90AB1TDP1NPC1
SCHEMBL24310308 0.73 KDM4E (0.50) KDM4EHSP90AA1HSP90AB1TDP1ADORA1
SCHEMBL15094883 0.72 IDH2 (0.65) NPC1RAB9AIDH2MAPTSMN1; SMN2
SCHEMBL9083135 0.72 SMN1; SMN2 (0.52) NPC1RAB9AIDH2MAPTSMN1; SMN2
SCHEMBL602093 0.72 KDM4E (0.61) KDM4EHSP90AA1HSP90AB1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 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 (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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 KDM4E 377/4885HSP90AA1 4066/4885HSP90AB1 3744/4885

“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.