Sugi Predict

Sugi Predict / Compounds / SCHEMBL6085161

SCHEMBL6085161

SCHEMBL6085161

O=[N+]([O-])c1cccc(Cn2ccc3ccccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ PAX8 Q06710 2/20 0.55
▸ MAPT P10636 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HPGD P15428 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ HTR6 P50406 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6085171 0.84 HTR6 (0.60) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4328862 0.82 SERPINE1 (0.47) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL2263749 0.82 NPC1 (0.64) KMT2AALDH1A1MEN1PAX8MAPT
SCHEMBL1122365 0.82 NPC1 (0.54) KMT2AALDH1A1MEN1PAX8MAPT
SCHEMBL9184112 0.81 PAX8 (0.53) PAX8NPC1HSP90AA1
SCHEMBL4194784 0.80 MAPT (0.51) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL31061424 0.80 PLAU (0.72) PAX8
SCHEMBL4194376 0.79 IDO1 (0.54) KMT2AMEN1PAX8NPC1HSP90AA1
SCHEMBL9182305 0.79 PAX8 (0.51) KMT2AMEN1LMNAPAX8MAPT
SCHEMBL1607852 0.79 ALDH1A1 (0.54) KMT2AALDH1A1MEN1LMNASMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020976-B Pyrimidotriazole-indole-containing compound and preparation method and application thereof 郑州大学 2020-04-17 — — CN disclosed
CN-109020976-A Pyrimido triazole-Benzazole compounds and its preparation method and application 郑州大学 2018-12-18 — — CN disclosed
EP-2516405-B1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S R L (IT) 2015-09-30 — — EP disclosed
US-9040529-B2 4-phenylamino-pyrimidine derivatives having protein kinase inhibitor activity VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-05-26 — — US disclosed
US-9040529-B2 4-phenylamino-pyrimidine derivatives having protein kinase inhibitor activity VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-05-26 — — US disclosed
US-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S.R.L. (IT) 2012-10-11 — — US disclosed
US-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S.R.L. (IT) 2012-10-11 — — US disclosed
CN-1250542-C 2-(1H-indol-3-yl)-2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2006-04-12 — — CN disclosed
US-6987122-B2 2-(1H-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2006-01-17 — — US disclosed
EP-1244652-B1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY CELL THERAPEUTICS EUROPE SRL (IT) 2005-08-24 — — EP disclosed
US-6753342-B2 ANTICARCINOGENIC AGENTS FOR LUNG AND COLON CANCER TREATMENT NOVUSPHARMA S.P.A. (IT) 2004-06-22 — — US disclosed
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2004-02-12 — — US disclosed
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung NOVUSPHARMA S.P.A. (IT) 2003-08-21 — — US disclosed
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 — — EP disclosed
CN-1413205-A 2- (1H-indol-3-yl) -2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2003-04-23 — — CN disclosed
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 — — EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 — — WO disclosed
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 — — 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 (3 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-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY CDK9, CDK19, CDKL3 KMT2A 1384/4885ALDH1A1 4385/4885MEN1 4606/4885
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung IDO2, IDO1, TXNRD2 KMT2A 1607/4885ALDH1A1 384/4885MEN1 3941/4885
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity IDO1, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 453/4885ALDH1A1 58/4885MEN1 2422/4885

“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.