SCHEMBL6318906

SCHEMBL6318906

N=C(N)Nc1cccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDR P35968 2/20 0.38
PDGFRA P16234 1/20 0.38
FER P16591 1/20 0.38
LTK P29376 1/20 0.38
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.38
LRRK2 Q5S007 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
IDO1 P14902 2/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
TDO2 P48775 1/20 0.36
NTRK1 P04629 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
SCHEMBL6326901 0.92 PLAU (0.40) PDPK1TDP1KDRIDO1AKT1
SCHEMBL6406845 0.91 KDR (0.43) PDPK1TDP1KDRPDGFRAFER
SCHEMBL6319465 0.88 PARP1 (0.45) PDPK1KDRIDO1MEN1KMT2A
SCHEMBL6321984 0.88 PARP1 (0.45) PDPK1KDRIDO1MEN1KMT2A
SCHEMBL6320111 0.87 IDO1 (0.39) KCNK3KCNK9TDP1KDRPDGFRA
SCHEMBL6320103 0.87 IDO1 (0.39) KCNK3KCNK9TDP1KDRPDGFRA
SCHEMBL6323099 0.87 ACVR1 (0.42) KCNK3KCNK9TDP1KDRPDGFRA
SCHEMBL6323095 0.87 ACVR1 (0.42) KCNK3KCNK9TDP1KDRPDGFRA
SCHEMBL6320960 0.87 PDPK1 (0.46) PDPK1TDP1KDRIDO1MEN1
SCHEMBL6320711 0.87 PDPK1 (0.46) PDPK1TDP1KDRIDO1MEN1

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 PDPK1 120/4885KCNK3 1865/4885KCNK9 2231/4885

“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.