SCHEMBL6322138

SCHEMBL6322138

CCS(=O)(=O)N(CCCN)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CA2 P00918 2/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6322141 1.00 CA12 (0.35) CA12CA1CA9CA2IDO1
SCHEMBL6325475 0.92 CA12 (0.36) CA12CA1CA9CA2IDO1
SCHEMBL6325477 0.92 CA12 (0.36) CA12CA1CA9CA2IDO1
SCHEMBL6318732 0.91 IDO1 (0.35) CA12CA1CA9CA2IDO1
SCHEMBL6318728 0.91 IDO1 (0.35) CA12CA1CA9CA2IDO1
SCHEMBL6321197 0.90 IDO1 (0.35) CA12CA1CA9CA2IDO1
SCHEMBL6321199 0.90 IDO1 (0.35) CA12CA1CA9CA2IDO1
SCHEMBL6320811 0.89 IDO1 (0.36) CA12CA1CA9CA2IDO1
SCHEMBL6321230 0.89 IDO1 (0.36) CA12CA1CA9CA2IDO1
SCHEMBL6321829 0.86 IDO1 (0.38) CA12CA1CA9CA2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 CA12 4558/4885CA1 3035/4885CA9 3527/4885

“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.