SCHEMBL6320111

SCHEMBL6320111

O=CNc1cccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
NTRK1 P04629 1/20 0.38
GSK3B P49841 3/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDR P35968 2/20 0.37
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
LRRK2 Q5S007 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
TLK2 Q86UE8 2/20 0.37
JAK3 P52333 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6320103 1.00 IDO1 (0.39) IDO1MAP3K7TAB1NTRK1GSK3B
SCHEMBL6326981 0.89 KDR (0.42) IDO1GSK3BTDP1KDRPDGFRA
SCHEMBL6326975 0.89 KDR (0.42) IDO1GSK3BTDP1KDRPDGFRA
SCHEMBL6318906 0.87 PDPK1 (0.39) IDO1MAP3K7TAB1NTRK1GSK3B
SCHEMBL6323095 0.86 ACVR1 (0.42) IDO1MAP3K7TAB1KCNK3KCNK9
SCHEMBL6323099 0.86 ACVR1 (0.42) IDO1MAP3K7TAB1KCNK3KCNK9
SCHEMBL6320369 0.85 KDR (0.48) IDO1TDP1KDRPDGFRAFER
SCHEMBL6320376 0.85 KDR (0.48) IDO1TDP1KDRPDGFRAFER
SCHEMBL6319362 0.85 CHEK1 (0.44) IDO1KCNK3KCNK9ALDH1A1MEN1
SCHEMBL6319369 0.85 CHEK1 (0.44) IDO1KCNK3KCNK9ALDH1A1MEN1

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 232/4885MAP3K7 81/4885TAB1 1069/4885

“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.