SCHEMBL2124656

SCHEMBL2124656

Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
DHODH Q02127 12/20 0.43
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NLRP3 Q96P20 1/20 0.37
MPO P05164 1/20 0.36
NT5E P21589 1/20 0.35
ACHE P22303 1/20 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
SCHEMBL2608548 0.94 PIK3CA (0.42) PIK3CADHODHTDP1SMN1; SMN2KDM4E
SCHEMBL2123245 0.83 PIK3CA (0.41) PIK3CADHODHKDM4EMPOACHE
SCHEMBL2123766 0.80 MAPK14 (0.52) PIK3CADHODHMPO
SCHEMBL2123397 0.78 PIK3CA (0.42) PIK3CADHODHKDM4EMPOACHE
SCHEMBL2712930 0.77 CYP11B1 (0.44) DHODHCYP3A4MPOACHE
SCHEMBL29893339 0.76 DHODH (0.44) DHODHSMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL2124769 0.75 DHODH (0.50) PIK3CADHODHKDM4E
SCHEMBL2126196 0.75 PIK3CA (0.47) PIK3CADHODHSMN1; SMN2KDM4ELMNA
SCHEMBL2123581 0.74 MPO (0.45) DHODHKDM4EMPOACHE
SCHEMBL30774146 0.74 MPO (0.45) DHODHKDM4EMPOACHE

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 7 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
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
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 2656/4885TDP1 2061/4885

“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.