SCHEMBL13801974

SCHEMBL13801974

CCC1CNC(=O)c2c(C)cccc2O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
BCHE P06276 3/20 0.37
OPRD1 P41143 2/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
MAOA P21397 2/20 0.37
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.34
SLC6A2 P23975 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1612974 0.89 PKM (0.35) PKMBCHEOPRD1MAOAUSP2
SCHEMBL22721477 0.78 CYP1A2 (0.40) PKMHTR2BUSP2ALDH1A1HPGD
SCHEMBL13802912 0.73 HTR2B (0.48) PKMHTR2AHTR2CHTR2BALDH1A1
SCHEMBL22721459 0.71 PIM1 (0.39) PKMUSP2ALDH1A1HPGDHSD17B10
SCHEMBL29442720 0.71 PIM1 (0.39) PKMUSP2ALDH1A1HPGDHSD17B10
SCHEMBL30112409 0.71 CASR (0.50) PKMHPGDGAA
SCHEMBL17150937 0.71 CASR (0.50) PKMHPGDGAA
SCHEMBL29442646 0.71 ROS1 (0.34)
SCHEMBL29442671 0.71 ROS1 (0.31)
SCHEMBL13756993 0.70 HTR2A (0.39) BCHEHTR2AHTR2CHTR2BALDH1A1

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 PKM 297/4885BCHE 3534/4885OPRD1 3513/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PKM 297/4885BCHE 3534/4885OPRD1 3513/4885

“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.