SCHEMBL6318980

SCHEMBL6318980

CC(C)S(=O)(=O)N(CCN(C)C)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KLK7 P49862 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
NAMPT P43490 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
SERPINE1 P05121 1/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL6318984 1.00 MEN1 (0.34) MEN1KMT2AIDO1TDO2KDR
SCHEMBL4490965 0.90 GPR27 (0.33) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4486035 0.90 BACE1 (0.36) MEN1KMT2AKDRBRD4POLB
SCHEMBL4486037 0.90 BACE1 (0.36) MEN1KMT2AKDRBRD4POLB
SCHEMBL4490963 0.90 GPR27 (0.33) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL436205 0.90 KMT2A (0.35) MEN1KMT2AIDO1TDO2KDR
SCHEMBL436206 0.90 KMT2A (0.35) MEN1KMT2AIDO1TDO2KDR
SCHEMBL6321230 0.89 IDO1 (0.36) MEN1KMT2AIDO1TDO2KDR
SCHEMBL6320811 0.89 IDO1 (0.36) MEN1KMT2AIDO1TDO2KDR
SCHEMBL6318774 0.88 L3MBTL1 (0.38) MEN1KMT2ANAMPTMAPTL3MBTL1

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 MEN1 3345/4885KMT2A 750/4885IDO1 232/4885

“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.