SCHEMBL6320462

SCHEMBL6320462

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
LSS P48449 1/20 0.42
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CAPN9 O14815 1/20 0.40
CASP3 P42574 1/20 0.40
CNR1 P21554 1/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL6320468 1.00 EGFR (0.44) EGFRLSSMAPTALDH1A1KMT2A
SCHEMBL6325929 0.94 EGFR (0.47) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL6325927 0.94 EGFR (0.47) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL6320070 0.92 EGFR (0.44) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL6320067 0.92 EGFR (0.44) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL6320536 0.91 EGFR (0.45) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL6320531 0.91 EGFR (0.45) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL6320782 0.91 EGFR (0.42) EGFRLSSMAPTALDH1A1KMT2A
SCHEMBL6320776 0.91 EGFR (0.42) EGFRLSSMAPTALDH1A1KMT2A
SCHEMBL6325185 0.90 MEN1 (0.43) EGFRMAPTALDH1A1KMT2AMEN1

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 EGFR 152/4885LSS 3807/4885MAPT 3817/4885

“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.