SCHEMBL6327687

SCHEMBL6327687

CNC(=N)c1cccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
KDR P35968 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDPK1 O15530 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GSK3B P49841 4/20 0.34
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
CHEK1 O14757 1/20 0.34
TLK2 Q86UE8 1/20 0.34

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
SCHEMBL6327561 0.88 KMT2A (0.43) TDP1IDO1TDO2MEN1KMT2A
SCHEMBL6326726 0.88 KMT2A (0.43) TDP1IDO1TDO2MEN1KMT2A
SCHEMBL6326901 0.86 PLAU (0.40) TDP1IDO1TDO2KDRPDPK1
SCHEMBL6323095 0.86 ACVR1 (0.42) TDP1IDO1TDO2KDRMEN1
SCHEMBL6323099 0.86 ACVR1 (0.42) TDP1IDO1TDO2KDRMEN1
SCHEMBL6320239 0.86 TDP1 (0.38) TDP1IDO1TDO2KDRMEN1
SCHEMBL6318906 0.85 PDPK1 (0.39) TDP1IDO1TDO2KDRMEN1
SCHEMBL6319477 0.85 GSK3B (0.47) TDP1MEN1KMT2AALDH1A1GSK3B
SCHEMBL6319473 0.85 GSK3B (0.47) TDP1MEN1KMT2AALDH1A1GSK3B
SCHEMBL6326037 0.84 CCKBR (0.47) TDP1IDO1TDO2MEN1KMT2A

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 TDP1 1212/4885IDO1 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.