SCHEMBL3487008

SCHEMBL3487008

COc1ccc(-c2ccc3nc(N(C(=O)C(F)(F)F)c4ccc(C(C)(C)C)cc4)cn3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 3/20 0.37
CASP1 P29466 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
DHODH Q02127 1/20 0.37
CASP7 P55210 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
SCHEMBL3486636 0.86 KIF11 (0.38) KDM4ENR1H4APP
SCHEMBL3486401 0.83 DYRK1A (0.43)
SCHEMBL3486121 0.82 KDM4E (0.42) PIK3CDPIK3CAPIK3CGKDM4EALDH1A1
SCHEMBL3486481 0.79 FYN (0.47) KDM4EALDH1A1SMN1; SMN2NPC1RXFP1
Trifluoroacetic Acid SCHEMBL3487005 0.77 MAP3K5 (0.52)
SCHEMBL3486521 0.75 ALDH1A3 (0.41) KDM4EALDH1A1HPGDNPC1RXFP1
SCHEMBL13498813 0.75 MAP3K5 (0.56) MAPT
SCHEMBL3486125 0.70 KCNH2 (0.39)
Trifluoroacetic Acid SCHEMBL3486616 0.69 MAP3K5 (0.52)
Trifluoroacetic Acid SCHEMBL3486304 0.68 MAP3K5 (0.52)

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 PIK3CD 2898/4885PIK3CA 2525/4885PIK3CG 3281/4885

“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.