Sugi Predict

Sugi Predict / Compounds / SCHEMBL359423

SCHEMBL359423

SCHEMBL359423

O=[N+]([O-])c1ncc(N2CCOCC2)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 8/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ CYP2C9 P11712 5/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MITF O75030 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL16684517 0.92 POLB (0.49) POLBMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL361410 0.84 POLB (0.57) POLBMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL359096 0.83 POLB (0.56) POLBMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL360727 0.83 POLB (0.56) POLBMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL15097532 0.83 POLB (0.56) POLBMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL16684526 0.82 POLB (0.49) POLBMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL30805597 0.80 POLB (0.52) POLBMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL2713198 0.77 CYP1A2 (0.61) POLBMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL12991793 0.74 POLB (0.56) POLBMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL31360909 0.74 POLB (0.34) POLBMAPTALDH1A1CYP2C9CYP1A2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 — — US disclosed
US-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-08-15 — — US disclosed
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2019-01-29 — — US disclosed
EP-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 — — EP disclosed
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 — — US disclosed
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 — — US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 — — US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 — — US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 — — US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 — — US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 — — EP disclosed
CN-103080113-A 7, 9-nitrogen radical-4-oxo-4h-pyrido[l,2-a]pyrimidine-2-carboxylic acid benzylamide anti-virals AVEXA LTD 2013-05-01 — — CN disclosed
CN-102336751-A Novel antiviral agent AVEXA LTD 2012-02-01 — — CN disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 — — WO disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 — — 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 (7 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-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 POLB 3788/4885MAPT 1600/4885ALDH1A1 2959/4885
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 POLB 3788/4885MAPT 1600/4885ALDH1A1 2959/4885
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 POLB 3788/4885MAPT 1600/4885ALDH1A1 2959/4885
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 POLB 3788/4885MAPT 1600/4885ALDH1A1 2959/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 POLB 3788/4885MAPT 1600/4885ALDH1A1 2959/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 POLB 3788/4885MAPT 1600/4885ALDH1A1 2959/4885
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 POLB 937/4885MAPT 4213/4885ALDH1A1 1686/4885

“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.