SCHEMBL4745003

SCHEMBL4745003

CSc1nc(-c2cccc(S(N)(=O)=O)c2)nc(NC2CC2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CA12 O43570 4/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MAPK8 P45983 3/20 0.38
MAPK9 P45984 3/20 0.38
MAPK10 P53779 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
CA13 Q8N1Q1 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 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
SCHEMBL4748480 0.87 NPSR1 (0.41) CA1CA2CA9CA12NPSR1
SCHEMBL8383269 0.83 ALDH1A1 (0.40) USP2CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL7892682 0.82 SYK (0.44) SYKCA1CA2CA9CA12
SCHEMBL4748833 0.81 CA12 (0.40) SYKCA1CA2CA9CA12
SCHEMBL4787733 0.77 FOS (0.41) NPSR1
SCHEMBL7898133 0.70 CA9 (0.40) CA1CA2CA9CA12CA13
SCHEMBL8383001 0.69 NPSR1 (0.44) USP2CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL8384543 0.68 NPSR1 (0.53) USP2NPSR1ALDH1A1MEN1LMNA
SCHEMBL8379758 0.68 KMT2A (0.43) USP2NPSR1ALDH1A1MEN1LMNA
SCHEMBL4748211 0.67 NPSR1 (0.41) CA1CA2CA9CA12USP2

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
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO claimed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US claimed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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 (1 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S SYK 2049/4885CA1 1344/4885CA2 2732/4885

“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.