Sugi Predict

Sugi Predict / Compounds / SCHEMBL6318752

SCHEMBL6318752

SCHEMBL6318752

Nc1ccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ CASP3 P42574 2/20 0.46
▸ CAPN9 O14815 1/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TGM2 P21980 1/20 0.42

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
SCHEMBL6318758 1.00 EGFR (0.50) EGFRMEN1KMT2ACASP3CAPN9
SCHEMBL6319460 0.94 EGFR (0.54) EGFRMEN1KMT2ACASP3CAPN9
SCHEMBL6319442 0.94 EGFR (0.54) EGFRMEN1KMT2ACASP3CAPN9
SCHEMBL28414296 0.92 EGFR (0.55) EGFRMEN1KMT2ACASP3CAPN9
SCHEMBL29642973 0.92 EGFR (0.55) EGFRMEN1KMT2ACASP3CAPN9
SCHEMBL8010041 0.91 EGFR (0.51) EGFRMEN1KMT2ACASP3CAPN9
SCHEMBL6320292 0.91 EGFR (0.51) EGFRMEN1KMT2ACASP3CAPN9
SCHEMBL6326010 0.90 EGFR (0.50) EGFRMEN1KMT2ACASP3CAPN9
SCHEMBL6322554 0.90 EGFR (0.50) EGFRMEN1KMT2ACASP3CAPN9
SCHEMBL6326004 0.90 EGFR (0.50) EGFRMEN1KMT2ACASP3CAPN9

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 5 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
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 — — EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 — — WO 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 152/4885MEN1 3345/4885KMT2A 750/4885

“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.