SCHEMBL4894482

SCHEMBL4894482

OC(=S)c1ccc2cnccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ATG4B Q9Y4P1 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
MGAM O43451 1/20 0.36
ROCK2 O75116 1/20 0.36
LMNA P02545 1/20 0.36
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MAPKAPK2 P49137 1/20 0.32
ERN1 O75460 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL1016413 0.81 MGAM (0.58) CTSAHDAC3HDAC1HDAC2CNR2
SCHEMBL27776426 0.78 KDM4E (0.50) CTSAHDAC3HDAC1HDAC2CNR2
SCHEMBL6637070 0.77 CTSA (0.42) CTSAHDAC3HDAC1HDAC2KDM4C
SCHEMBL8132969 0.77 MEN1 (0.46) CTSACNR2LMNAKDM4EMEN1
SCHEMBL6635510 0.77 ALDH1A1 (0.41) CTSACNR2CNR1LMNAKDM4E
SCHEMBL10201993 0.76 CTSA (0.45) CTSAHDAC3HDAC1HDAC2CNR2
SCHEMBL4894481 0.76 CTSA (0.42) CTSAHDAC3HDAC1HDAC2CNR2
SCHEMBL3282791 0.76 ADORA3 (0.46) CTSAHDAC3HDAC1HDAC2CNR2
SCHEMBL6640812 0.75 ROCK2 (0.44) CNR2ROCK2MEN1KMT2ARAB9A
SCHEMBL8125945 0.74 CCR3 (0.38) CTSAHDAC3HDAC1HDAC2CNR2

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-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
US-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 US disclosed
EP-1833832-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC Biotech AG (DE) 2007-09-19 EP disclosed
WO-2007060028-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC BIOTECH AG (DE) 2007-05-31 WO 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 CTSA 3764/4885HDAC3 2073/4885HDAC1 1662/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP CTSA 2384/4885HDAC3 4744/4885HDAC1 4522/4885

“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.