SCHEMBL12716352

SCHEMBL12716352

Cc1cccc2c1C(=O)NC2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.55
HTR2C P28335 4/20 0.55
HTR2B P41595 4/20 0.55
PBRM1 Q86U86 7/20 0.45
MKNK1 Q9BUB5 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MKNK2 Q9HBH9 1/20 0.39
GSK3B P49841 1/20 0.38
BACE1 P56817 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL12714643 0.83 HTR2A (0.40) HTR2AHTR2CHTR2BPBRM1MKNK1
SCHEMBL31159197 0.79 PBRM1 (0.44) HTR2AHTR2CHTR2BPBRM1TNKS2
SCHEMBL19358233 0.79 PBRM1 (0.51) HTR2AHTR2CHTR2BPBRM1MKNK1
SCHEMBL11358726 0.79 HTR2A (0.54) HTR2AHTR2CHTR2BPBRM1ALDH1A1
SCHEMBL30451265 0.78 HTR2C (0.56) HTR2AHTR2CHTR2BPBRM1ALDH1A1
SCHEMBL29010215 0.77 HTR2A (0.51) HTR2AHTR2CHTR2BPBRM1ALDH1A1
SCHEMBL22225436 0.77 ROCK2 (0.37) HTR2AHTR2CHTR2BPBRM1CYP1A2
SCHEMBL12718314 0.77 HTR2A (0.51) HTR2AHTR2CHTR2BPBRM1ALDH1A1
SCHEMBL13802283 0.75 CREBBP (0.56) HTR2AHTR2CHTR2BPBRM1GSK3B
SCHEMBL13802289 0.75 CREBBP (0.56) HTR2AHTR2CHTR2BPBRM1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
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 (3 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-20110086842-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.