SCHEMBL6320507

SCHEMBL6320507

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TDO2 P48775 1/20 0.42
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
GFER P55789 2/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 1/20 0.37
KDR P35968 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NOX1 Q9Y5S8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
SENP1 Q9P0U3 1/20 0.35
HTT P42858 1/20 0.34
MST1R Q04912 1/20 0.34

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
SCHEMBL6320512 1.00 IDO1 (0.42) IDO1TDO2KMT2AMEN1GFER
Hydrochloric Acid SCHEMBL6325522 0.90 IDO1 (0.41) IDO1TDO2KMT2AMEN1GFER
Hydrochloric Acid SCHEMBL6325525 0.90 IDO1 (0.41) IDO1TDO2KMT2AMEN1GFER
SCHEMBL6318593 0.90 IDO1 (0.40) IDO1TDO2KMT2AMEN1GFER
SCHEMBL6318595 0.90 IDO1 (0.40) IDO1TDO2KMT2AMEN1GFER
SCHEMBL4491892 0.89 ALDH1A1 (0.36) KMT2AMEN1GAAACHEKDR
SCHEMBL4491894 0.89 ALDH1A1 (0.36) KMT2AMEN1GAAACHEKDR
SCHEMBL6320485 0.89 NPC1 (0.40) IDO1TDO2KMT2AMEN1KDR
SCHEMBL6320749 0.89 NPC1 (0.40) IDO1TDO2KMT2AMEN1KDR
SCHEMBL479620 0.88 SENP1 (0.41) KMT2AMEN1ACHEKDRRAB9A

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 762/4885KMT2A 750/4885

“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.