SCHEMBL6325475

SCHEMBL6325475

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
SERPINE1 P05121 1/20 0.34
TSHR P16473 1/20 0.34
IDO1 P14902 2/20 0.34
TDO2 P48775 1/20 0.34
GAA P10253 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLK2 Q86UE8 1/20 0.33
LMNA P02545 3/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6325477 1.00 CA12 (0.36) CA12CA1CA2CA9KMT2A
SCHEMBL6317547 0.94 KMT2A (0.35) CA12CA1CA2CA9KMT2A
SCHEMBL6317551 0.94 KMT2A (0.35) CA12CA1CA2CA9KMT2A
SCHEMBL6322138 0.92 CA12 (0.35) CA12CA1CA2CA9KMT2A
SCHEMBL6322141 0.92 CA12 (0.35) CA12CA1CA2CA9KMT2A
SCHEMBL7020142 0.91 SMN1; SMN2 (0.38) CA12CA1CA2CA9KMT2A
SCHEMBL7020136 0.91 SMN1; SMN2 (0.38) CA12CA1CA2CA9KMT2A
SCHEMBL6320297 0.90 KMT2A (0.35) CA12CA1CA2CA9KMT2A
SCHEMBL6320287 0.90 KMT2A (0.35) CA12CA1CA2CA9KMT2A
SCHEMBL436205 0.89 KMT2A (0.35) CA12CA1CA2CA9KMT2A

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 3035/4885CA2 2165/4885

“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.