SCHEMBL2123180

SCHEMBL2123180

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.36
DHODH Q02127 2/20 0.36
PDE10A Q9Y233 9/20 0.35
CYP3A4 P08684 7/20 0.35
FABP3 P05413 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
NQO2 P16083 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2124840 0.81 PIK3CA (0.37) PIK3CAPDE10ACYP3A4FABP3CYP2D6
SCHEMBL6076908 0.79 DHODH (0.43) DHODHCYP3A4NQO2MAPTGAA
SCHEMBL2125067 0.75 MAPT (0.41) PIK3CADHODHCYP3A4NQO2MAPT
SCHEMBL28234680 0.75 NQO2 (0.32) DHODHNQO2GAAHTTSMN1; SMN2
SCHEMBL9779533 0.73 PDE10A (0.36) DHODHPDE10ACYP3A4FABP3CYP2D6
SCHEMBL11417217 0.72 ERN1 (0.37) DHODHPDE10ACYP3A4FABP3CYP2D6
SCHEMBL2126008 0.71 KDM4E (0.51) PIK3CADHODHFABP3FABP4MAPT
SCHEMBL2126377 0.70 KDM4E (0.49) MAPTCYP1A2GAAL3MBTL1
SCHEMBL28356097 0.69 ERN1 (0.36) PDE10ACYP3A4CYP2D6CYP2C9NQO2
SCHEMBL6821557 0.68 KDM4E (0.43) DHODHCYP3A4CYP2D6CYP2C9MAPT

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 28/4885DHODH 2656/4885PDE10A 3392/4885

“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.