SCHEMBL2124840

SCHEMBL2124840

Cc1nc2c(C)cc(Cl)cc2c(Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
PDE10A Q9Y233 10/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 7/20 0.34
FABP3 P05413 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
AHR P35869 1/20 0.32
MPO P05164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2123180 0.81 PIK3CA (0.36) PIK3CAPDE10AGAAHTTSMN1; SMN2
SCHEMBL2125784 0.73 KDM4E (0.49) GAAL3MBTL1CYP1A2ALDH1A1
SCHEMBL2123829 0.73 PIK3CA (0.37) PIK3CAGAAHTTSMN1; SMN2TDP1
SCHEMBL7908590 0.72 PDE10A (0.41) PDE10ASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL27101009 0.71 PDE10A (0.36) PDE10AHTTCYP1A2CYP3A4FABP3
SCHEMBL6818548 0.71 CYP1A2 (0.39) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2122835 0.69 MPO (0.51) CYP1A2FABP3CYP2D6CYP2C9FABP4
SCHEMBL11985931 0.69 POLB (0.55) FABP3FABP4MPOALDH1A1POLB
SCHEMBL9779533 0.68 PDE10A (0.36) PDE10ACYP1A2CYP3A4FABP3CYP2D6
SCHEMBL436019 0.68 NR4A2 (0.53) PDE10AHTTSMN1; SMN2TDP1L3MBTL1

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-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885PDE10A 3392/4885GAA 2673/4885

“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.