SCHEMBL3484462

SCHEMBL3484462

COc1ccc(F)c2c1CC(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
GSK3B P49841 2/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 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
SCHEMBL17543765 0.85 KDM4E (0.45) TDP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26640480 0.80 DRD2 (0.41) TDP2GSK3BCCNB2CDK1CCNB1
SCHEMBL7477953 0.78
SCHEMBL20597369 0.78 ALDH1A1 (0.38) TDP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22691798 0.77 DRD2 (0.37) GSK3B
SCHEMBL7471911 0.77
SCHEMBL31393732 0.75 KDM4E (0.40) KDM4EGLAGAAGSK3BCCNB2
SCHEMBL29422962 0.74 DRD2 (0.37) TDP2GSK3BCCNB2CDK1CCNB1
SCHEMBL19210878 0.74 DRD2 (0.37) TDP2GSK3BCCNB2CDK1CCNB1
SCHEMBL3484512 0.74 DRD2 (0.51) TDP2GSK3BCCNB2CDK1CCNB1

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 TDP2 4682/4885KDM4E 621/4885ALDH1A1 2591/4885

“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.