SCHEMBL3485399

SCHEMBL3485399

COC(=O)C1(c2ccc(C(=O)Nc3cn4c(C)cccc4n3)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAP3K5 Q99683 6/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JAK1 P23458 1/20 0.38
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
AKT1 P31749 4/20 0.36
AKT2 P31751 3/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA7 P36544 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
SCHEMBL3486831 0.90 KDM4E (0.48) KDM4EMAPTGAALMNARECQL
SCHEMBL13862024 0.81 GAA (0.38) KDM4EMAPTGAALMNARECQL
SCHEMBL3486225 0.78 MAP3K5 (0.61) KDM4EMAPTLMNAMAP3K5ALDH1A1
SCHEMBL3485303 0.76 MAP3K5 (0.67) KDM4EMAPTGAALMNARECQL
SCHEMBL3485467 0.76 MAP3K5 (0.61) KDM4EMAPTGAALMNAMAP3K5
SCHEMBL3485827 0.76 MAP3K5 (0.55) KDM4EMAPTGAALMNARECQL
SCHEMBL3487069 0.75 MAP3K5 (0.60) KDM4EMAPTGAALMNAMAP3K5
Hydrochloric Acid SCHEMBL3486394 0.75 MAP3K5 (0.66) KDM4EMAPTGAALMNARECQL
SCHEMBL3485626 0.73 MAP3K5 (0.63) MAP3K5RAB9A
SCHEMBL3485464 0.73 MAP3K5 (0.57) KDM4EMAPTGAALMNARECQL

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 4 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
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
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 898/4885MAPT 3292/4885GAA 4092/4885

“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.