SCHEMBL1662911

SCHEMBL1662911

COC(=O)CC(c1c(Cl)ncnc1NCc1ccc(OC)cc1OC)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.47
CYP3A4 P08684 18/20 0.47
CYP2C19 P33261 18/20 0.47
CYP2D6 P10635 17/20 0.47
TSHR P16473 14/20 0.47
HSD17B10 Q99714 12/20 0.47
ALDH1A1 P00352 11/20 0.47
CYP2C9 P11712 8/20 0.47
HIF1A Q16665 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 8/20 0.47
ALOX15 P16050 6/20 0.47
CLK4 Q9HAZ1 12/20 0.45
MAPK1 P28482 8/20 0.45
LMNA P02545 7/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL2063881 0.80 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL1662668 0.77 MAPK1 (0.33) TSHRHSD17B10ALDH1A1MAPK1LMNA
SCHEMBL22307623 0.75 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30555496 0.75 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL22307619 0.74 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL27199466 0.72 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL31017360 0.72 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL23143391 0.69 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL21174364 0.69 KDM4C (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL31456984 0.69 KDM4C (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
EP-2491032-A1 AKT INHIBITORS Eli Lilly and Company (US) 2012-08-29 EP disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 US disclosed
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 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-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 CYP1A2 1674/4885CYP3A4 1467/4885CYP2C19 914/4885

“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.