Sugi Predict

Sugi Predict / Compounds / SCHEMBL3173592

SCHEMBL3173592

SCHEMBL3173592

CN(Cc1ccc(C(=O)NN(c2nc(C#N)ncc2Cl)C2CCCC2)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 7/20 0.43
▸ CTSK P43235 7/20 0.42
▸ CTSL P07711 6/20 0.42
▸ CTSS P25774 6/20 0.42
▸ CTSB P07858 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ CHEK1 O14757 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ MAPK8 P45983 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
Trifluoroacetic Acid SCHEMBL3169472 0.94 CTSK (0.40) ITKCTSKCTSLCTSSCTSB
SCHEMBL3169251 0.93 CTSK (0.42) ITKCTSKCTSLCTSSCTSB
SCHEMBL3176722 0.90 CTSK (0.43) ITKCTSKCTSLCTSSCTSB
SCHEMBL3159544 0.90 CTSK (0.41) ITKCTSKCTSLCTSSCTSB
SCHEMBL3169583 0.90 CTSS (0.41) ITKCTSKCTSLCTSSCTSB
SCHEMBL3173740 0.89 CTSK (0.47) ITKCTSKCTSLCTSSCTSB
SCHEMBL3165918 0.89 CTSK (0.42) ITKCTSKCTSLCTSSCTSB
SCHEMBL3168819 0.89 CTSK (0.42) ITKCTSKCTSLCTSSCTSB
SCHEMBL3169544 0.89 CTSS (0.43) ITKCTSKCTSLCTSSCTSB
SCHEMBL3165496 0.89 CTSK (0.46) ITKCTSKCTSLCTSSCTSB

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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 — — US claimed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 — — EP claimed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 — — US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 — — US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 — — US disclosed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 — — EP 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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS SERPINB1, CTRL, PRSS1 ITK 4133/4885CTSK 65/4885CTSL 9/4885

“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.