SCHEMBL12547342

SCHEMBL12547342

CC/C(=N/NC(N)=S)C1SCCCS1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.39
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALOX12 P18054 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CCR6 P51684 1/20 0.33
NR2F2 P24468 1/20 0.33
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL844254 0.80 CTSK (0.56) CTSKALDH1A1SMN1; SMN2ALOX12NPSR1
SCHEMBL18495776 0.75 ALDH1A1 (0.34) CTSKALDH1A1SMN1; SMN2ALOX12NPSR1
SCHEMBL18495777 0.75 ALDH1A1 (0.34) CTSKALDH1A1SMN1; SMN2ALOX12NPSR1
SCHEMBL18503072 0.74 MAOA (0.34) CTSKALDH1A1SMN1; SMN2ALOX12NPSR1
SCHEMBL5568982 0.64 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL5564609 0.63
SCHEMBL5564613 0.63
SCHEMBL12547285 0.59 FAAH (0.48)
SCHEMBL17666890 0.59 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL17666891 0.59 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2ALMNAHTT

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-9944645-B2 Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORPORATION (US) 2018-04-17 US disclosed
US-20160326178-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION 2016-11-10 US disclosed
US-8461330-B2 Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORPORATION (US) 2013-06-11 US disclosed
US-20110136781-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-06-09 US disclosed
US-7767675-B2 Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORPORATION (US) 2010-08-03 US disclosed
US-20080167287-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-10 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-20160326178-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS ERBB2, MERTK, ABL1 CTSK 2944/4885ALDH1A1 1368/4885SMN1; SMN2 3371/4885
US-20110136781-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS ERBB2, MERTK, ABL1 CTSK 2944/4885ALDH1A1 1368/4885SMN1; SMN2 3371/4885
US-20080167287-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS ERBB2, MERTK, ABL1 CTSK 2944/4885ALDH1A1 1368/4885SMN1; SMN2 3371/4885

“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.