SCHEMBL682006

SCHEMBL682006

CC(Br)c1cc2ccccc2nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.57
PIK3CG P48736 2/20 0.47
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 5/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
PSMB5 P28074 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ERBB2 P04626 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL20061289 0.86 PDE10A (0.61) PDE10APIK3CGTDP1L3MBTL1KDM4E
SCHEMBL20061458 0.83 PDE10A (0.57) PDE10APIK3CGTDP1L3MBTL1KDM4E
SCHEMBL682007 0.83 PDE10A (0.57) PDE10APIK3CGTDP1L3MBTL1KDM4E
SCHEMBL20061318 0.83 PDE10A (0.57) PDE10APIK3CGTDP1L3MBTL1KDM4E
SCHEMBL1881106 0.78 ATM (0.48) PDE10APIK3CGL3MBTL1KDM4EALDH1A1
SCHEMBL6786144 0.77 TDP1 (0.56) PDE10ATDP1KDM4EALDH1A1GLA
SCHEMBL682003 0.76 EGFR (0.50) PDE10APIK3CGTDP1KDM4EALDH1A1
SCHEMBL12749524 0.75 PDE10A (0.44) PDE10APIK3CGTDP1L3MBTL1KDM4E
SCHEMBL12749499 0.74 SLC6A2 (0.44) PDE10APIK3CGKDM4EALDH1A1MAPT
SCHEMBL30598673 0.73 PDE10A (0.49) PDE10APIK3CGTDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
WO-2010036380-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2010-04-01 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 (3 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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PDE10A 987/4885PIK3CG 191/4885TDP1 875/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PDE10A 987/4885PIK3CG 191/4885TDP1 875/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PDE10A 987/4885PIK3CG 191/4885TDP1 875/4885

“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.