SCHEMBL6319358

SCHEMBL6319358

CCC(=O)N(CCCNC)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39
ALDH1A1 P00352 4/20 0.35
ADRB2 P07550 1/20 0.35
KDR P35968 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 2/20 0.33
JAK2 O60674 1/20 0.33
PAX8 Q06710 1/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GFER P55789 1/20 0.33
HPGD P15428 3/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDPK1 O15530 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP1 P29466 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
SCHEMBL6321023 1.00 IDO1 (0.39) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6328162 0.91 MEN1 (0.37) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6325597 0.91 MEN1 (0.37) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL436225 0.90 IDO1 (0.40) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6320087 0.90 ADRA2C (0.40) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL436226 0.90 IDO1 (0.40) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6320093 0.90 ADRA2C (0.40) IDO1TDO2ALDH1A1ADRB2KDR
SCHEMBL6328091 0.88 IDO1 (0.41) IDO1TDO2ALDH1A1KDRRAB9A
SCHEMBL6328087 0.88 IDO1 (0.41) IDO1TDO2ALDH1A1KDRRAB9A
SCHEMBL6319436 0.87 IDO1 (0.43) IDO1TDO2ALDH1A1KDRRAB9A

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 5 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
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO 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 762/4885ALDH1A1 1810/4885

“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.