Sugi Predict

Sugi Predict / Compounds / SCHEMBL520898

SCHEMBL520898

SCHEMBL520898

COc1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.66
▸ KMT2A Q03164 6/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ HTT P42858 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MAPT P10636 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.52

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
SCHEMBL520107 0.90 SIRT6 (0.61) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL519649 0.86 GAA (0.71) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL546758 0.85 L3MBTL1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL15880409 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL16134867 0.82 POLB (0.70) ALDH1A1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL32660003 0.82 L3MBTL1 (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2946066 0.80 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL15172192 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL13161886 0.80 SIRT6 (0.67) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL1912032 0.80 POLB (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — US disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — US disclosed
WO-2021254464-A1 SUBSTITUTED QUINAZOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 南京红云生物科技有限公司 2021-12-23 — — WO disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 — — WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 — — EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 — — US disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 — — US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 — — US disclosed
EP-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 — — EP disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 — — EP disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 — — US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 — — US disclosed
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 — — US disclosed
EP-2287156-A1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders Novartis AG (CH) 2011-02-23 — — EP disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 — — US disclosed
EP-1606265-B1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-02-02 — — EP disclosed
EP-2275413-A1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. Novartis AG (CH) 2011-01-19 — — EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 — — WO disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 — — 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 (5 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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ALDH1A1 587/4885KMT2A 1801/4885MEN1 4147/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 ALDH1A1 3822/4885KMT2A 3733/4885MEN1 1372/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALDH1A1 647/4885KMT2A 1877/4885MEN1 4074/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS ALDH1A1 955/4885KMT2A 3238/4885MEN1 4489/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALDH1A1 779/4885KMT2A 114/4885MEN1 3470/4885

“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.