SCHEMBL2805831

SCHEMBL2805831

ON=C(Cc1ccc(-c2ccccc2)cc1)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
MGLL Q99685 3/20 0.41
PLA2G4A P47712 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
ABCC4 O15439 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTT P42858 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CTSA P10619 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 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
SCHEMBL2805828 1.00 PDPK1 (0.44) PDPK1MGLLPLA2G4ALMNAGAA
SCHEMBL2806946 0.79 PLA2G4A (0.56) PDPK1PLA2G4ALMNAGAAABCC4
SCHEMBL15095300 0.79 PDPK1 (0.46) PDPK1PLA2G4ALMNAGAAABCC4
SCHEMBL8144573 0.74 RBBP9 (0.45) PDPK1PLA2G4ACES1KMT2ASMN1; SMN2
SCHEMBL28302059 0.73 LMNA (0.52) MGLLLMNAGAAABCC4TSHR
SCHEMBL9346822 0.71 PLA2G4A (0.49) PDPK1PLA2G4ALMNATSHRCES1
SCHEMBL2952033 0.70 ALDH1A1 (0.47) PLA2G4ATSHRHTTCES1KMT2A
SCHEMBL2952032 0.70 ALDH1A1 (0.47) PLA2G4ATSHRHTTCES1KMT2A
Biphenyl SCHEMBL18916766 0.70 ALDH1A1 (0.52) PDPK1PLA2G4AGAACES1KMT2A
SCHEMBL165353 0.69 PLA2G4A (0.66) PDPK1PLA2G4ALMNATSHRCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 PDPK1 4248/4885MGLL 4667/4885PLA2G4A 1335/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 PDPK1 3918/4885MGLL 4595/4885PLA2G4A 926/4885

“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.