SCHEMBL2124279

SCHEMBL2124279

Cc1c(C(F)(F)F)nc2ccc(Cl)cc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.43
MPO P05164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
NT5E P21589 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
HSP90AB1 P08238 1/20 0.39
RORC P51449 2/20 0.39
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
DHODH Q02127 2/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37

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
SCHEMBL2123844 0.84 ALDH1A1 (0.42) PIK3CAMPOALDH1A1LMNAPOLB
SCHEMBL7497911 0.78 KDM4E (0.40) ALDH1A1SMN1; SMN2HIF1AKDM4EMEN1
SCHEMBL2122835 0.78 MPO (0.51) MPOALDH1A1POLBNPFFR1NPFFR2
SCHEMBL28732550 0.77 LMNA (0.49) PIK3CAMPOALDH1A1LMNAPOLB
SCHEMBL5085893 0.75 LMNA (0.54) ALDH1A1LMNAPOLBHTTNCOA1
SCHEMBL30753420 0.73 KDM4E (0.49) PIK3CAALDH1A1LMNAPOLBHTT
SCHEMBL10824128 0.73 MPO (0.40) MPOALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL31500224 0.72 MAOA (0.58) MPOALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL14190005 0.72 CCNE2 (0.50) MPOALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28732545 0.71 MAOA (0.44) ALDH1A1LMNAPOLBHTTSMN1; SMN2

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 28/4885MPO 197/4885ALDH1A1 3735/4885

“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.