SCHEMBL6327393

SCHEMBL6327393

CNC(=O)CN(C(=O)c1ccccc1)c1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
KDR P35968 2/20 0.36
ALDH1A1 P00352 4/20 0.36
ADRB2 P07550 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MST1R Q04912 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL6327390 1.00 HPGD (0.39) HPGDIDO1TDO2KDRALDH1A1
SCHEMBL6317468 0.92 MEN1 (0.38) HPGDIDO1TDO2KDRALDH1A1
SCHEMBL6317459 0.92 MEN1 (0.38) HPGDIDO1TDO2KDRALDH1A1
SCHEMBL6320554 0.91 IDO1 (0.41) HPGDIDO1TDO2KDRALDH1A1
SCHEMBL6320539 0.91 IDO1 (0.41) HPGDIDO1TDO2KDRALDH1A1
SCHEMBL6326214 0.90 HPGD (0.39) HPGDIDO1TDO2KDRALDH1A1
SCHEMBL6326209 0.90 HPGD (0.39) HPGDIDO1TDO2KDRALDH1A1
SCHEMBL6319470 0.89 IDO1 (0.39) HPGDIDO1TDO2KDRALDH1A1
SCHEMBL6319466 0.89 IDO1 (0.39) HPGDIDO1TDO2KDRALDH1A1
SCHEMBL6319446 0.86 IDO1 (0.47) HPGDIDO1TDO2KDRALDH1A1

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 HPGD 1930/4885IDO1 232/4885TDO2 762/4885

“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.