Sugi Predict

Sugi Predict / Compounds / SCHEMBL12466331

SCHEMBL12466331

SCHEMBL12466331

CC(C)(C)OC(=O)c1ccc(-c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP17A1 P05093 3/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ WDR5 P61964 2/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37

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
SCHEMBL28011463 0.88 L3MBTL1 (0.40) L3MBTL1CYP11B1CYP11B2ABCB1MAPT
SCHEMBL4221601 0.87 ABCB1 (0.52) ABCB1MAPTMEN1KMT2A
SCHEMBL26189280 0.85 NR4A2 (0.51) L3MBTL1CYP11B1CYP11B2ABCB1MAPT
Iodide SCHEMBL12466442 0.82 ABCB1 (0.39) L3MBTL1ABCB1MAPTALDH1A1MEN1
SCHEMBL11001041 0.82 MMP2 (0.50) CYP11B1CYP11B2MAPTALDH1A1KDM4E
SCHEMBL12117498 0.81 ABCB1 (0.42) ABCB1MEN1KMT2A
SCHEMBL1315471 0.81 NPC1 (0.43) ABCB1MAPTNPC1RAB9A
SCHEMBL2274516 0.80 ABCB1 (0.41) L3MBTL1ABCB1MAPTNPC1RAB9A
SCHEMBL10475570 0.79 CYP11B1 (0.46) L3MBTL1CYP11B1CYP11B2ABCB1MAPT
SCHEMBL5868893 0.79 CYP17A1 (0.54) ABCB1CYP17A1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956315-B1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS Rottapharm Biotech Srl (IT) 2025-04-16 — — EP disclosed
EP-3956315-A1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2022-02-23 — — EP disclosed
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-02-10 — — US disclosed
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-02-10 — — US disclosed
CN-114008026-A Benzopyrazoles and pyridopyrazoles as protein kinase inhibitors 罗达制药生物技术有限责任公司 2022-02-01 — — CN disclosed
WO-2020212530-A1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-22 — — WO disclosed
EP-3725777-A1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2020-10-21 — — EP disclosed
EP-2668184-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PF MEDICAMENT (FR) 2018-01-10 — — EP disclosed
EP-2877176-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK PF MEDICAMENT (FR) 2017-04-26 — — EP disclosed
EP-2877177-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PF MEDICAMENT (FR) 2016-10-26 — — EP disclosed
EP-2877176-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK Pierre Fabre Médicament (FR) 2015-06-03 — — EP disclosed
US-8883821-B2 Substituted pyrazolo[3,4-b]pyridines as medicaments PIERRE FABRE MEDICAMENT (FR) 2014-11-11 — — US disclosed
WO-2014016433-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2014-01-30 — — WO disclosed
WO-2014016434-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK PIERRE FABRE MEDICAMENT (FR) 2014-01-30 — — WO disclosed
EP-2689778-A1 Derivatives of azaindoles or diazaindoles for treating pain PIERRE FABRE MEDICAMENT (FR) 2014-01-29 — — EP disclosed
EP-2689779-A1 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing trk PIERRE FABRE MEDICAMENT (FR) 2014-01-29 — — EP disclosed
EP-2668184-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT Pierre Fabre Medicament (FR) 2013-12-04 — — EP disclosed
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-07-04 — — US disclosed
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-04-04 — — US disclosed
WO-2012101239-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2012-08-02 — — 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-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 L3MBTL1 4865/4885CYP11B1 301/4885CYP11B2 277/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 L3MBTL1 4865/4885CYP11B1 301/4885CYP11B2 277/4885
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS PDXK, MAP4K2, PLK2 L3MBTL1 4439/4885CYP11B1 1874/4885CYP11B2 2017/4885

“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.