SCHEMBL12005113

SCHEMBL12005113

Fc1ccc(OCc2cccnc2)c(-c2nc3c(Cl)cccc3cc2CNc2ncnc3[nH]cnc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
USP2 O75604 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
EGFR P00533 5/20 0.36
ERBB2 P04626 4/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ATM Q13315 2/20 0.35
HPGD P15428 2/20 0.35
ERBB3 P21860 1/20 0.35
ERBB4 Q15303 1/20 0.35

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
SCHEMBL4179285 0.92 PIK3CD (0.38) CLK4LMNAEGFRERBB2ERBB3
SCHEMBL27781344 0.86 PIK3CD (0.37) CLK4LMNAEGFRERBB2PIK3CD
SCHEMBL4182182 0.85 PIK3CD (0.46) CLK4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4178542 0.84 PIK3CD (0.40) CLK4LMNAPIK3CDHTTFLT1
SCHEMBL4182144 0.83 MEN1 (0.38) CLK4LMNAPIK3CDHTTFLT1
SCHEMBL16270359 0.81 AURKA (0.37) CLK4LMNAPIK3CDHTTFLT1
SCHEMBL4182599 0.81 PIK3CD (0.38) CLK4LMNAPIK3CDHTTFLT1
SCHEMBL12004693 0.80 PIK3CD (0.38) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4174015 0.80 PIK3CD (0.35) CLK4LMNAEGFRPIK3CDHTT
SCHEMBL16270350 0.80 PIK3CD (0.44) CLK4LMNAALDH1A1CYP1A2CYP3A4

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
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
EP-2137186-B1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2016-01-27 EP disclosed
US-8901135-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-12-02 US disclosed
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US 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 (2 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-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CLK4 3782/4885LMNA 2309/4885ALDH1A1 3905/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CLK4 3782/4885LMNA 2309/4885ALDH1A1 3905/4885

“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.