SCHEMBL6415974

SCHEMBL6415974

O=C(NCc1ccccc1)c1cc2c(-c3cc4ccccc4[nH]3)n[nH]c2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 11/20 0.62
▸ KDR P35968 4/20 0.52
▸ CSNK2A2 P19784 2/20 0.52
▸ CSNK2B P67870 2/20 0.52
▸ CSNK2A1 P68400 2/20 0.52
▸ PLK1 P53350 1/20 0.52
▸ MAPKAPK2 P49137 3/20 0.51
▸ AKT1 P31749 1/20 0.51
▸ PIP5K1C O60331 1/20 0.49
▸ MAPK1 P28482 3/20 0.45
▸ PRKD3 O94806 2/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ CHEK2 O96017 2/20 0.45
▸ RET P07949 2/20 0.45
▸ RPS6KB1 P23443 2/20 0.45
▸ FLT4 P35916 2/20 0.45
▸ FLT3 P36888 2/20 0.45
▸ MAPK9 P45984 2/20 0.45
▸ CSNK1G2 P78368 2/20 0.45
▸ MELK Q14680 2/20 0.45

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
SCHEMBL6413156 0.84 KDR (0.66) ITKKDRCSNK2A2CSNK2BCSNK2A1
SCHEMBL12895651 0.82 ITK (0.48) ITKKDRFGFR1
SCHEMBL6410583 0.78 CLK2 (0.49) ITKPIP5K1CMAPK1AURKACLK2
SCHEMBL27218186 0.77 KDR (0.67) KDRCSNK2A2CSNK2BCSNK2A1PLK1
SCHEMBL6479952 0.75 ITK (0.57) ITKPIP5K1C
SCHEMBL6414576 0.71 KDR (0.50) KDRCSNK2A2CSNK2BCSNK2A1PLK1
SCHEMBL2418622 0.71 KDR (0.53) KDRCSNK2A2CSNK2BCSNK2A1PLK1
SCHEMBL2414645 0.71 KDR (0.53) KDRCSNK2A2CSNK2BCSNK2A1PLK1
SCHEMBL5755119 0.70 HSP90AA1 (0.57) ITKPIP5K1CGSK3B
SCHEMBL6410524 0.70 ITK (0.52) ITKMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026984-A1 Substituted thieno [2,3-c] pyrazoles and their use as medicinal products AVENTIS PHARMA S.A. (FR) 2005-02-03 — — 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-20050026984-A1 Substituted thieno [2,3-c] pyrazoles and their use as medicinal products TPMT, PARK7, PRNP ITK 2307/4885KDR 3206/4885CSNK2A2 2270/4885

“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.

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