SCHEMBL3486348

SCHEMBL3486348

Cc1ccc(C(=O)Nc2cn3ccccc3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 10/20 0.63
RAB9A P51151 6/20 0.63
POLB P06746 2/20 0.63
TSHR P16473 1/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 3/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.51
RET P07949 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
ITK Q08881 1/20 0.49

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
SCHEMBL3486577 0.89 KDM4E (0.62) MAP3K5RAB9APOLBNPC1SMN1; SMN2
SCHEMBL3485678 0.87 MAP3K5 (0.73) MAP3K5RAB9APOLBNPC1SMN1; SMN2
SCHEMBL913680 0.81 PTGS1 (0.58) RAB9APOLBTSHRNPC1SMN1; SMN2
SCHEMBL3486256 0.80 ALDH1A1 (0.65) MAP3K5RAB9APOLBNPC1SMN1; SMN2
SCHEMBL3485861 0.77 MAP3K5 (1.00) MAP3K5RETCDK2GSK3BITK
SCHEMBL4225362 0.76 RAB9A (0.67) RAB9APOLBTSHRNPC1SMN1; SMN2
SCHEMBL23657493 0.76 RAB9A (0.80) RAB9APOLBNPC1SMN1; SMN2HPGD
SCHEMBL26098066 0.75 NSD2 (0.59) MAP3K5RAB9APOLBNPC1SMN1; SMN2
SCHEMBL13498766 0.74 MAP3K5 (0.80) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486469 0.74 MAP3K5 (1.00) MAP3K5RETCDK2GSK3BITK

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 9 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 claimed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP claimed
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
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
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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 MAP3K5 42/4885RAB9A 2732/4885POLB 4619/4885

“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.