SCHEMBL946470

SCHEMBL946470

CC(C)(C)C(Cc1cccc(CO)n1)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MME P08473 3/20 0.33
ACE P12821 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCNK O75909 1/20 0.33
DDB1 Q16531 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
POLB P06746 2/20 0.33
ADORA2A P29274 2/20 0.32
CPB2 Q96IY4 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
BRD4 O60885 1/20 0.32
PTPRA P18433 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SHMT1 P34896 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
SCHEMBL3511517 0.84 SIRT2 (0.39) NPSR1KMT2AMEN1OPRM1OPRD1
SCHEMBL9644603 0.74 NPSR1 (0.48) NPSR1KMT2AMEN1OPRM1OPRD1
SCHEMBL1935307 0.74 PPARG (0.42) MMEACEL3MBTL1ACE2
Acetic Acid SCHEMBL6984469 0.72 NPSR1 (0.53) NPSR1POLBADORA2ABRD4
SCHEMBL5741460 0.70 SIRT2 (0.39) KMT2AMEN1MMEPOLBKEAP1
SCHEMBL22008292 0.69 GABRA1 (0.42) NPSR1
SCHEMBL2881400 0.69 ACACB (0.46) MMEACEACE2
SCHEMBL3088154 0.69 PLG (0.38)
SCHEMBL3974459 0.69 CTSB (0.49) NPSR1
SCHEMBL3747154 0.68 NPSR1 (0.59) NPSR1KMT2AMEN1OPRM1OPRD1

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-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 NPSR1 527/4885KMT2A 3410/4885MEN1 4253/4885

“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.