SCHEMBL5366906

SCHEMBL5366906

Cc1ccsc1C=C1C(=O)Nc2ccc(NC(=N)N)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 7/20 0.48
PDPK1 O15530 3/20 0.47
PDK1 Q15118 1/20 0.47
GSK3B P49841 6/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TLK2 Q86UE8 2/20 0.44
NOX4 Q9NPH5 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL5361229 0.90 AKT2 (0.59) AKT2PDPK1PDK1GSK3B
SCHEMBL5359359 0.84 TLK2 (0.47) PDPK1MEN1KMT2ATLK2
SCHEMBL5376707 0.81 PDPK1 (0.68) PDPK1GSK3BMEN1KMT2A
SCHEMBL5359704 0.80 HDAC3 (0.65) AKT2PDPK1MEN1KMT2ATLK2
SCHEMBL5364317 0.80 AKT2 (0.48) AKT2PDPK1PDK1GSK3BTLK2
SCHEMBL6297819 0.79 LRRK2 (0.60)
SCHEMBL6297823 0.79 LRRK2 (0.60)
SCHEMBL5376663 0.78 NTRK1 (0.43) PDPK1GSK3BMEN1KMT2ATLK2
SCHEMBL5358278 0.77 MEN1 (0.46) PDPK1MEN1KMT2ATLK2
SCHEMBL5361719 0.77 PDPK1 (0.58) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 US disclosed
EP-1247803-A2 Indolinone compounds suitable for modulation of protein kinases Sugen, Inc. (US) 2002-10-09 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK AKT2 450/4885PDPK1 31/4885PDK1 808/4885

“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.