SCHEMBL6318732

SCHEMBL6318732

CCS(=O)(=O)N(CCCN(C)C)c1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SRC P12931 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KLK7 P49862 1/20 0.32
LTA4H P09960 1/20 0.32
LMNA P02545 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
SCHEMBL6318728 1.00 IDO1 (0.35) IDO1TDO2MEN1KMT2AKDM4E
SCHEMBL6320811 0.94 IDO1 (0.36) IDO1TDO2MEN1KMT2AKDM4E
SCHEMBL6321230 0.94 IDO1 (0.36) IDO1TDO2MEN1KMT2AKDM4E
SCHEMBL7020136 0.92 SMN1; SMN2 (0.38) IDO1TDO2MEN1KMT2ACA12
SCHEMBL7020142 0.92 SMN1; SMN2 (0.38) IDO1TDO2MEN1KMT2ACA12
SCHEMBL6322138 0.91 CA12 (0.35) IDO1TDO2MEN1KMT2AL3MBTL1
SCHEMBL6322141 0.91 CA12 (0.35) IDO1TDO2MEN1KMT2AL3MBTL1
SCHEMBL6318843 0.90 IDO1 (0.34) IDO1TDO2MEN1KMT2AKDM4E
SCHEMBL6318845 0.90 IDO1 (0.34) IDO1TDO2MEN1KMT2AKDM4E
SCHEMBL6326865 0.90 IDO1 (0.35) IDO1TDO2MEN1KMT2AKDM4E

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-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

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 IDO1 232/4885TDO2 762/4885MEN1 3345/4885

“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.