Sugi Predict

Sugi Predict / Compounds / SCHEMBL2568595

SCHEMBL2568595

SCHEMBL2568595

CCOC(=O)Nc1cc(Br)nc(Br)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ RECQL P46063 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ GALR2 O43603 1/20 0.39
▸ MITF O75030 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
SCHEMBL10277673 0.82 GAA (0.34) ALDH1A1CYP1A2SMN1; SMN2KMT2APOLB
SCHEMBL1197137 0.78 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6027531 0.74 MAPT (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2568347 0.72 KCNQ3 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5344518 0.72 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2902495 0.72 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7585822 0.71 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2553087 0.71 KMT2A (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL20268520 0.70 KMT2A (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11834584 0.70 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702426-B2 Macrocyclic deaza-purinones for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2023-07-18 — — US disclosed
EP-2978429-B1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-02-22 — — EP disclosed
US-20160304531-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC 2016-10-20 — — US disclosed
US-20160304531-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC 2016-10-20 — — US disclosed
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-07-28 — — US disclosed
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-07-28 — — US disclosed
US-9315530-B2 Adsorption of immunopotentiators to insoluble metal salts NOVARTIS AG (CH) 2016-04-19 — — US disclosed
US-9315530-B2 Adsorption of immunopotentiators to insoluble metal salts NOVARTIS AG (CH) 2016-04-19 — — US disclosed
WO-2014154859-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2014-10-02 — — WO disclosed
EP-2480253-B1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS NOVARTIS AG (CH) 2014-01-22 — — EP disclosed
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS IRM LLC (BM) 2013-10-17 — — US disclosed
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS IRM LLC (BM) 2013-10-17 — — US disclosed
US-20120177681-A1 Formulation of immunopotentiators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2012-07-12 — — US disclosed
US-20120177681-A1 Formulation of immunopotentiators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2012-07-12 — — US disclosed
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 — — EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 — — US disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 — — EP disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 — — WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 — — 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 (6 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-20160304531-A1 MACROCYCLIC DEAZA-PURINONES FOR THE TREATMENT OF VIRAL INFECTIONS DHX15, MAVS, DDX18 ALDH1A1 1054/4885CYP1A2 395/4885CYP2C9 285/4885
US-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 ALDH1A1 2389/4885CYP1A2 1104/4885CYP2C9 2301/4885
US-11702426-B2 Macrocyclic deaza-purinones for the treatment of viral infections DHX15, MAVS, DDX18 ALDH1A1 1054/4885CYP1A2 395/4885CYP2C9 285/4885
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 ALDH1A1 3185/4885CYP1A2 3581/4885CYP2C9 3597/4885
US-20120177681-A1 Formulation of immunopotentiators CD69, CD4, ICOS ALDH1A1 2822/4885CYP1A2 2729/4885CYP2C9 2871/4885
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 ALDH1A1 3185/4885CYP1A2 3581/4885CYP2C9 3597/4885

“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.