SCHEMBL6404857

SCHEMBL6404857

CN(CC(=O)NCc1ccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 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
SCHEMBL6400167 0.90 EGFR (0.39) EGFRLMNAMMP1MMP2MMP9
SCHEMBL6319233 0.90 EGFR (0.39) EGFRLMNAMMP1MMP2MMP9
SCHEMBL6318500 0.89 EGFR (0.41) EGFRALDH1A1LMNAHPGDHTT
SCHEMBL6318492 0.89 EGFR (0.41) EGFRALDH1A1LMNAHPGDHTT
SCHEMBL6320461 0.88 NAMPT (0.42) EGFRALDH1A1MEN1KMT2AMAPT
SCHEMBL6328201 0.88 NAMPT (0.38) EGFRALDH1A1MMP1MMP2MMP9
SCHEMBL6319737 0.85 HDAC3 (0.40) EGFRALDH1A1LMNAMMP1MMP2
SCHEMBL6318861 0.85 EGFR (0.36) EGFRMMP1MMP2MMP9MMP8
SCHEMBL6328256 0.83 PDPK1 (0.45) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6328248 0.83 PDPK1 (0.45) EGFRALDH1A1SMN1; SMN2MEN1KMT2A

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 2 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

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 EGFR 152/4885ALDH1A1 1810/4885LMNA 2720/4885

“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.