SCHEMBL569141

SCHEMBL569141

c1ccc(COc2ccc(-c3n[nH]c4cccnc34)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.45
TTK P33981 2/20 0.44
GRM4 Q14833 1/20 0.44
NTRK1 P04629 1/20 0.44
PRMT5 O14744 2/20 0.44
CYP4F2 P78329 9/20 0.43
CYP4A11 Q02928 9/20 0.43
P4HTM Q9NXG6 1/20 0.42
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
CCNB2 O95067 1/20 0.41
ABL1 P00519 1/20 0.41
CDK1 P06493 1/20 0.41
PDGFRB P09619 1/20 0.41
CDK4 P11802 1/20 0.41
SRC P12931 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41

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
SCHEMBL15064621 0.84 PRMT5 (0.55) ITKTTKGRM4NTRK1PRMT5
SCHEMBL20653207 0.74 P4HTM (0.54) CYP4F2CYP4A11P4HTMCYP3A4
SCHEMBL5458493 0.74 LRRK2 (0.67) ITKTTKGRM4NTRK1P4HTM
SCHEMBL25027619 0.73 GRM4 (0.50) ITKGRM4
SCHEMBL29363374 0.73 GRM4 (0.50) ITKGRM4
SCHEMBL570130 0.72 P4HTM (0.39) PRMT5CYP4F2CYP4A11P4HTMCYP3A4
SCHEMBL569456 0.71 SRC (0.41) PRMT5CYP4F2CYP4A11P4HTMABL1
SCHEMBL5386440 0.71 TTK (0.72) TTKNTRK1CDK2FLT3AURKB
SCHEMBL15349490 0.69 KDM4E (0.58) ITKTTKGRM4CDK2FLT3
SCHEMBL30436378 0.68 ITK (0.50) ITKTTKGRM4PLK4CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
EP-2601192-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 WO 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A ITK 4324/4885TTK 3209/4885GRM4 1153/4885

“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.