SCHEMBL6320782

SCHEMBL6320782

CN(C)Cc1ccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2cccc(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
MPI P34949 1/20 0.39
GALK1 P51570 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 2/20 0.38
CAPN9 O14815 1/20 0.38
THRA P10827 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 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
SCHEMBL6320776 1.00 EGFR (0.42) EGFRMMP1MMP2MMP9MMP8
SCHEMBL6319430 0.91 EGFR (0.42) EGFRALDH1A1MAPTPKMMPI
SCHEMBL6320508 0.91 EGFR (0.42) EGFRALDH1A1MAPTPKMMPI
SCHEMBL6320462 0.91 EGFR (0.44) EGFRALDH1A1MAPTMPIKMT2A
SCHEMBL6320468 0.91 EGFR (0.44) EGFRALDH1A1MAPTMPIKMT2A
SCHEMBL6320531 0.90 EGFR (0.45) EGFRALDH1A1MAPTPKMMPI
SCHEMBL6320536 0.90 EGFR (0.45) EGFRALDH1A1MAPTPKMMPI
SCHEMBL6325927 0.89 EGFR (0.47) EGFRALDH1A1MAPTPKMMPI
SCHEMBL6325929 0.89 EGFR (0.47) EGFRALDH1A1MAPTPKMMPI
SCHEMBL6318657 0.88 EGFR (0.43) EGFRALDH1A1MAPTPKMKMT2A

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 152/4885MMP1 3021/4885MMP2 3475/4885

“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.