SCHEMBL2124353

SCHEMBL2124353

Cc1c(N2CCCCC2=O)nc2cc(F)ccc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.50
ACHE P22303 4/20 0.41
BRD9 Q9H8M2 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRM2 Q14416 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
BCHE P06276 3/20 0.34

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
SCHEMBL2123588 0.96 PIK3CA (0.49) PIK3CAACHENPC1RAB9AGRM2
SCHEMBL248997 0.81 PIK3CA (0.51) PIK3CACYP3A4CYP2C19LMNAMAPT
SCHEMBL2712636 0.79 GRM5 (0.42) PIK3CAGRM2
SCHEMBL245528 0.78 PIK3CA (0.50) PIK3CANPC1RAB9ALMNA
SCHEMBL2124160 0.73 PARP1 (0.39) PIK3CAACHENPC1CYP1A2CYP3A4
SCHEMBL247622 0.72 PIK3CA (0.48) PIK3CAACHELMNAMAPTKDM4E
SCHEMBL245506 0.72 PIK3CA (0.51) PIK3CAACHECYP3A4CYP2C19TSHR
SCHEMBL248157 0.70 CNR2 (0.43) ACHENPC1RAB9ACYP1A2CYP3A4
SCHEMBL2712435 0.70 PIK3CA (0.43) PIK3CAACHECYP3A4CYP2C19BCHE
SCHEMBL2123581 0.69 MPO (0.45) ACHEKDM4EPOLBBCHE

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 28/4885ACHE 3061/4885BRD9 152/4885

“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.