SCHEMBL13801975

SCHEMBL13801975

Cc1cccc2c1C(=O)N[C@@H](CC(C)C)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
CDC7 O00311 2/20 0.33
PBRM1 Q86U86 2/20 0.33
FFAR3 O14843 2/20 0.32
HTR7 P34969 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.31
CES2 O00748 1/20 0.31
KDM1A O60341 1/20 0.31
ACHE P22303 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL13801963 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BCDC7PBRM1
SCHEMBL12714449 0.88 CDC7 (0.34) CDC7MOGAT2KDM4ENPC1GAA
SCHEMBL12714481 0.88 CDC7 (0.34) CDC7MOGAT2KDM4ENPC1GAA
SCHEMBL10274708 0.85 HTR2A (0.39) HTR2AHTR2CHTR2BPBRM1HTR7
SCHEMBL13802128 0.85 HTR2A (0.39) HTR2AHTR2CHTR2BPBRM1HTR7
SCHEMBL13756993 0.85 HTR2A (0.39) HTR2AHTR2CHTR2BPBRM1HTR7
SCHEMBL13802100 0.84 HTR2A (0.38) HTR2AHTR2CHTR2BPBRM1HTR7
SCHEMBL13802199 0.83 HTR2A (0.37) HTR2AHTR2CHTR2BPBRM1HTR7
SCHEMBL13802107 0.81 MAOB (0.43) HTR2AHTR2CHTR2B
SCHEMBL12715118 0.81 MAOB (0.43) HTR2AHTR2CHTR2B

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-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 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 (2 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2A 3341/4885HTR2C 3994/4885HTR2B 3945/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP HTR2A 3341/4885HTR2C 3994/4885HTR2B 3945/4885

“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.