SCHEMBL2123829

SCHEMBL2123829

Cc1cc(Cl)c2nc(C)c(C)c(Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR4A2 P43354 1/20 0.32
GPR35 Q9HC97 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2125067 0.81 MAPT (0.41) PIK3CALMNAMAPTGPR35KMT2A
SCHEMBL2123532 0.73 NR4A2 (0.50) PIK3CAMAPTCYP1A2NR4A2KMT2A
SCHEMBL2124840 0.73 PIK3CA (0.37) PIK3CACYP1A2CYP2D6CYP2C9HTT
SCHEMBL9724245 0.69 LMNA (0.55) LMNAMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL11870206 0.68 DHODH (0.52) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL440270 0.68 NR4A2 (0.62) LMNAMAPTNR4A2KMT2AMEN1
Hydrochloric Acid SCHEMBL27551107 0.68 LMNA (0.53) LMNAMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL10435140 0.68 MAPT (0.39) LMNAMAPTNR4A2GPR35KMT2A
SCHEMBL28392544 0.67 POLB (0.40) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2124865 0.67 KMT2A (0.49) PIK3CALMNAMAPTCYP1A2CYP2D6

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 28/4885LMNA 2505/4885MAPT 3420/4885

“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.