SCHEMBL6320575

SCHEMBL6320575

CCOC(=O)CCNCc1cccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
GSK3B P49841 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EGFR P00533 1/20 0.37
ALDH1A1 P00352 4/20 0.37
PKM P14618 2/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 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
SCHEMBL6320568 1.00 MEN1 (0.40) MEN1KMT2AGSK3BHTTMAPT
SCHEMBL6322537 0.92 MEN1 (0.45) MEN1KMT2AGSK3BHTTMAPT
SCHEMBL6322546 0.92 MEN1 (0.45) MEN1KMT2AGSK3BHTTMAPT
SCHEMBL6320930 0.92 MEN1 (0.41) MEN1KMT2AGSK3BHTTMAPT
SCHEMBL6318364 0.92 MEN1 (0.41) MEN1KMT2AGSK3BHTTMAPT
SCHEMBL6328670 0.90 EGFR (0.41) MEN1KMT2AMAPTSMN1; SMN2EGFR
SCHEMBL6328675 0.90 EGFR (0.41) MEN1KMT2AMAPTSMN1; SMN2EGFR
SCHEMBL6322145 0.89 EGFR (0.38) MEN1KMT2AMAPTSMN1; SMN2EGFR
SCHEMBL6322134 0.89 EGFR (0.38) MEN1KMT2AMAPTSMN1; SMN2EGFR
SCHEMBL6319709 0.83 PDPK1 (0.43) MEN1KMT2AHTTMAPTSMN1; SMN2

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 MEN1 3345/4885KMT2A 750/4885GSK3B 231/4885

“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.