SCHEMBL6410583

SCHEMBL6410583

O=C(Cc1ccccc1)Nc1cc2c(-c3cc4ccccc4[nH]3)n[nH]c2s1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 1/20 0.49
▸ CLK3 P49761 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ ITK Q08881 13/20 0.48
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PIP5K1C O60331 1/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ AURKA O14965 1/20 0.40

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
SCHEMBL6414586 0.84 ROCK1 (0.50) ROCK1AURKA
SCHEMBL6415974 0.78 ITK (0.62) CLK2DYRK1AITKMAPK1PIP5K1C
SCHEMBL6410524 0.76 ITK (0.52) ITKALDH1A1MAPK1HSD17B10
SCHEMBL18446564 0.73 CLK2 (0.87) CLK2CLK3DYRK1AITK
SCHEMBL18452512 0.73 CLK2 (0.71) CLK2CLK3DYRK1AITK
SCHEMBL12895651 0.72 ITK (0.48) ITK
SCHEMBL18443831 0.72 WNT1 (0.75) CLK2CLK3DYRK1A
SCHEMBL3737836 0.70 PARP14 (0.58) ALDH1A1MAPK1HSD17B10IDO1
SCHEMBL18444914 0.69 CLK2 (0.66) CLK2CLK3DYRK1A
SCHEMBL18444193 0.66 CLK2 (1.00) CLK2CLK3DYRK1A

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 CLK2 2500/4885CLK3 2957/4885DYRK1A 2769/4885

“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.

Send feedback