SCHEMBL3594074

SCHEMBL3594074

CC1(C)Nc2cc(N)ccc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.40
CHEK1 O14757 2/20 0.39
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APAF1 O14727 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MGAT2 Q10469 1/20 0.36
CYP19A1 P11511 1/20 0.35
RET P07949 3/20 0.33
MOGAT2 Q3SYC2 3/20 0.33
FLT3 P36888 1/20 0.33
ALK Q9UM73 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL3596380 0.93 CA9 (0.40) CA9CHEK1HTR6KDM4EGAA
SCHEMBL18413662 0.88 CHEK1 (0.39) CA9CHEK1HTR6KDM4EGAA
SCHEMBL3594073 0.79 MGAT2 (0.37) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL9076137 0.78 CHEK1 (0.44) CA9CHEK1HTR6MAPTPGR
SCHEMBL8881506 0.78 MOGAT2 (0.46) CA9MAPTKMT2AMGAT2MOGAT2
SCHEMBL18413758 0.76 CHEK1 (0.47) CA9CHEK1HTR6KDM4EGAA
SCHEMBL757520 0.74 PDK2 (0.52) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL29789747 0.74 PDK2 (0.52) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL15621888 0.74 RAD52 (0.43) CA9CHEK1KDM4EGAAMAPT
SCHEMBL755345 0.74 MEN1 (0.49) MAPTMEN1KMT2ATDP1HSD17B10

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CA9 1531/4885CHEK1 1148/4885HTR6 1987/4885

“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.