SCHEMBL7948276

SCHEMBL7948276

Cc1ncc2c(n1)N(C)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32

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
SCHEMBL19200104 0.95 ALDH1A1 (0.37) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL17813500 0.87 GRM5 (0.40) GRM5TLR9
SCHEMBL22419360 0.73 TNKS (0.37) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL17813504 0.70 CYP11B2 (0.39)
SCHEMBL13865788 0.70 CDK5 (0.51) CCNA2CDK2CDK5CDK5R1NOS3
SCHEMBL25462420 0.69
SCHEMBL15127491 0.68 CDK5 (0.50) CCNA2CDK2CDK5CDK5R1NOS3
SCHEMBL24869473 0.68 CDK5 (0.50) CCNA2CDK2CDK5CDK5R1NOS3
SCHEMBL25472525 0.68 CDK5 (0.50) CCNA2CDK2CDK5CDK5R1NOS3
SCHEMBL25771772 0.68 CDK5 (0.50) CCNA2CDK2CDK5CDK5R1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
US-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
WO-2009157196-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2009-12-30 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-20110130384-A1 AMIDE COMPOUND GPR52, CNR2, ARRB1 KDM4E 3068/4885ALDH1A1 2242/4885MEN1 4688/4885

“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.