SCHEMBL3486121

SCHEMBL3486121

CC(C)(C)c1ccc(N(C(=O)C(F)(F)F)c2cn3nc(-c4cccc(C(F)(F)F)c4)ccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GABRA1 P14867 1/20 0.42
HPGD P15428 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FYN P06241 2/20 0.41
F2RL3 Q96RI0 1/20 0.39
KMO O15229 2/20 0.39
LMNA P02545 1/20 0.38
PIN1 Q13526 1/20 0.37
RIPK1 Q13546 2/20 0.37
PIK3CD O00329 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
SCHEMBL3486401 0.88 DYRK1A (0.43) FYNRIPK1
SCHEMBL3486481 0.87 FYN (0.47) KDM4EALDH1A1FYN
SCHEMBL3487008 0.82 PIK3CD (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3486636 0.81 KIF11 (0.38) KDM4EF2RL3
SCHEMBL13498805 0.77 MAP3K5 (0.56) RIPK1
Trifluoroacetic Acid SCHEMBL3486117 0.77 MAP3K5 (0.53) RIPK1
SCHEMBL3486521 0.76 ALDH1A3 (0.41) KDM4EALDH1A1HPGD
SCHEMBL10857864 0.73 KDM4E (0.60) KDM4EALDH1A1CYP1A2CYP3A4GABRA1
Bromide SCHEMBL10851397 0.72 KDM4E (0.58) KDM4EALDH1A1CYP1A2CYP3A4GABRA1
SCHEMBL3486125 0.71 KCNH2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 KDM4E 898/4885ALDH1A1 794/4885CYP1A2 1368/4885

“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.