SCHEMBL3787311

SCHEMBL3787311

Cc1nc(Cl)nc(-n2c(Cl)nc3ccc(Br)cc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPM1 P06748 2/20 0.39
ALK Q9UM73 2/20 0.39
PDE2A O00408 3/20 0.38
PDE10A Q9Y233 1/20 0.38
HTT P42858 1/20 0.37
FABP4 P15090 1/20 0.34
LCK P06239 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
MAP3K14 Q99558 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL3790546 0.89 TP53 (0.37) NPM1ALKPDE2APDE10AHTT
SCHEMBL3789860 0.84 PIK3CD (0.44) NPM1ALKPDE2APDE10AFABP4
SCHEMBL3795141 0.80 SMN1; SMN2 (0.50) HTTGALR3NR2F2SMN1; SMN2RAB9A
SCHEMBL3785846 0.77 PIK3CD (0.45) HTTSMN1; SMN2MAPTRAB9AALOX15
SCHEMBL3789399 0.74 PIK3CD (0.44) PDE2ALCKCYP1A2CYP2D6CYP2C9
SCHEMBL16540614 0.72 MAP3K14 (0.43) NPM1ALKPDE2APDE10AHTT
SCHEMBL17674019 0.71 SMN1; SMN2 (0.58) NPM1ALKPDE2APDE10AHTT
SCHEMBL31473995 0.71 SMN1; SMN2 (0.58) NPM1ALKPDE2APDE10AHTT
SCHEMBL20987192 0.67 NPM1 (0.44) NPM1ALKPDE2APDE10AHTT
SCHEMBL30040923 0.67 NPM1 (0.44) NPM1ALKPDE2APDE10AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US disclosed
EP-2398791-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS Amgen, Inc (US) 2011-12-28 EP disclosed
WO-2010096314-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS AMGEN INC. (US) 2010-08-26 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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR NPM1 2351/4885ALK 587/4885PDE2A 3274/4885

“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.