SCHEMBL6323095

SCHEMBL6323095

CNc1cccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.42
LRRK2 Q5S007 2/20 0.42
PDGFRA P16234 1/20 0.42
FER P16591 1/20 0.42
LTK P29376 1/20 0.42
CDK8 P49336 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CHEK1 O14757 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
IDO1 P14902 2/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
TDO2 P48775 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ROS1 P08922 1/20 0.39
CDK5 Q00535 1/20 0.39
KDR P35968 2/20 0.39
CASP3 P42574 2/20 0.38
BACE1 P56817 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL6323099 1.00 ACVR1 (0.42) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL6319362 0.89 CHEK1 (0.44) CHEK1IDO1TDO2KCNK3KCNK9
SCHEMBL6319369 0.89 CHEK1 (0.44) CHEK1IDO1TDO2KCNK3KCNK9
SCHEMBL6326037 0.88 CCKBR (0.47) ACVR1LRRK2TDP1IDO1CSNK1G1
SCHEMBL6326031 0.88 CCKBR (0.47) ACVR1LRRK2TDP1IDO1CSNK1G1
SCHEMBL6326726 0.87 KMT2A (0.43) TDP1IDO1TDO2KCNK3KCNK9
SCHEMBL6327561 0.87 KMT2A (0.43) TDP1IDO1TDO2KCNK3KCNK9
SCHEMBL6320376 0.87 KDR (0.48) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL6320369 0.87 KDR (0.48) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL6318906 0.87 PDPK1 (0.39) ACVR1LRRK2PDGFRAFERLTK

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 ACVR1 872/4885LRRK2 431/4885PDGFRA 865/4885

“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.