Sugi Predict

Sugi Predict / Compounds / SCHEMBL6320400

SCHEMBL6320400

SCHEMBL6320400

O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C(/Nc1ccc(CNc2ncccn2)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TGM2 P21980 1/20 0.41
▸ CAPN9 O14815 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ PTPRF P10586 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 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
SCHEMBL6320405 1.00 GSK3B (0.43) GSK3BEGFRMEN1KMT2ATGM2
SCHEMBL6327625 0.92 GSK3B (0.44) GSK3BEGFRMEN1KMT2ATGM2
SCHEMBL6327628 0.92 GSK3B (0.44) GSK3BEGFRMEN1KMT2ATGM2
SCHEMBL6325833 0.91 PTPRF (0.50) EGFRMEN1KMT2ATGM2CAPN9
SCHEMBL6325834 0.91 PTPRF (0.50) EGFRMEN1KMT2ATGM2CAPN9
Hydrochloric Acid SCHEMBL6318746 0.87 EGFR (0.46) GSK3BEGFRMEN1KMT2ATGM2
SCHEMBL6319029 0.87 EGFR (0.48) GSK3BEGFRMEN1KMT2ATGM2
SCHEMBL6319019 0.87 EGFR (0.48) GSK3BEGFRMEN1KMT2ATGM2
Hydrochloric Acid SCHEMBL6318764 0.87 EGFR (0.46) GSK3BEGFRMEN1KMT2ATGM2
Hydrochloric Acid SCHEMBL6319468 0.86 EGFR (0.47) GSK3BEGFRMEN1KMT2ATGM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 — — US disclosed
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 (2 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-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 GSK3B 1112/4885EGFR 1102/4885MEN1 2447/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 GSK3B 231/4885EGFR 152/4885MEN1 3345/4885

“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.