SCHEMBL844254

SCHEMBL844254

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.56
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NR2F2 P24468 1/20 0.47
ALOX12 P18054 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR6 P51684 1/20 0.36
ATM Q13315 1/20 0.36
METTL3 Q86U44 1/20 0.36
CTSL P07711 2/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL12547342 0.80 CTSK (0.39) CTSKALDH1A1SMN1; SMN2NR2F2ALOX12
SCHEMBL18495776 0.68 ALDH1A1 (0.34) CTSKALDH1A1SMN1; SMN2ALOX12NPSR1
SCHEMBL18495777 0.68 ALDH1A1 (0.34) CTSKALDH1A1SMN1; SMN2ALOX12NPSR1
SCHEMBL18503072 0.68 MAOA (0.34) CTSKALDH1A1SMN1; SMN2ALOX12NPSR1
SCHEMBL233447 0.65
SCHEMBL18185230 0.60 METTL3 (0.48) CTSKATMMETTL3
SCHEMBL17988120 0.60 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2ALOX12NPSR1MEN1
SCHEMBL18185231 0.60 METTL3 (0.48) CTSKATMMETTL3
SCHEMBL9487150 0.60
SCHEMBL844037 0.59

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-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 US disclosed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 US disclosed
US-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 US disclosed
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2010-05-27 US disclosed
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 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-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CTSK 864/4885ALDH1A1 2912/4885SMN1; SMN2 4495/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CTSK 864/4885ALDH1A1 2912/4885SMN1; SMN2 4495/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CTSK 864/4885ALDH1A1 2912/4885SMN1; SMN2 4495/4885

“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.