SCHEMBL6320388

SCHEMBL6320388

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
KDR P35968 1/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 3/20 0.38

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
SCHEMBL6320394 1.00 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL6322534 0.89 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL6322542 0.89 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7084842 0.88 PDPK1 (0.39) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7084845 0.88 PDPK1 (0.39) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4485222 0.88 BACE1 (0.41) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4504950 0.88 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4485225 0.88 BACE1 (0.41) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4504955 0.88 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL436205 0.86 KMT2A (0.35) ALDH1A1LMNAMEN1KMT2AKDM4E

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 ALDH1A1 1810/4885LMNA 2720/4885MEN1 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.