SCHEMBL3486481

SCHEMBL3486481

CC(=O)Nc1cccc(-c2ccc3nc(N(C(=O)C(F)(F)F)c4ccc(C(C)(C)C)cc4)cn3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.47
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3486121 0.87 KDM4E (0.42) FYNKDM4EALDH1A1
SCHEMBL3486401 0.84 DYRK1A (0.43) FYN
Trifluoroacetic Acid SCHEMBL3486475 0.80 MAP3K5 (0.51) FYNPOLB
SCHEMBL3487008 0.79 PIK3CD (0.39) KDM4EALDH1A1SMN1; SMN2RXFP1NPC1
SCHEMBL13498808 0.79 MAP3K5 (0.55) FYNKDM4EPOLB
SCHEMBL3486636 0.78 KIF11 (0.38) KDM4E
SCHEMBL23535587 0.74 FYN (0.64) FYNKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL3486521 0.72 ALDH1A3 (0.41) KDM4EALDH1A1RXFP1NPC1RAB9A
SCHEMBL12664401 0.70 FYN (0.55) FYNKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL13498805 0.69 MAP3K5 (0.56)

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 FYN 420/4885KDM4E 898/4885ALDH1A1 794/4885

“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.