SCHEMBL6320532

SCHEMBL6320532

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TDO2 P48775 1/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
KDR P35968 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRA P10827 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MST1R Q04912 1/20 0.33
PDPK1 O15530 1/20 0.33
AKT2 P31751 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
SCHEMBL6320537 1.00 IDO1 (0.38) IDO1TDO2POLBHTTKMT2A
SCHEMBL6320644 0.91 IDO1 (0.39) IDO1TDO2POLBHTTKMT2A
SCHEMBL6320651 0.91 IDO1 (0.39) IDO1TDO2POLBHTTKMT2A
SCHEMBL6399909 0.88 MALT1 (0.38) IDO1TDO2TDP1
SCHEMBL6318967 0.88 MALT1 (0.38) IDO1TDO2TDP1
SCHEMBL6321667 0.88 IDO1 (0.40) IDO1TDO2POLBHTTKMT2A
SCHEMBL6321660 0.88 IDO1 (0.40) IDO1TDO2POLBHTTKMT2A
Hydrochloric Acid SCHEMBL6327527 0.88 IDO1 (0.40) IDO1TDO2POLBHTTKMT2A
Hydrochloric Acid SCHEMBL6327524 0.88 IDO1 (0.40) IDO1TDO2POLBHTTKMT2A
SCHEMBL6326191 0.85 IDO1 (0.41) IDO1TDO2POLBHTTKMT2A

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 762/4885POLB 1921/4885

“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.