Sugi Predict

Sugi Predict / Compounds / SCHEMBL358946

SCHEMBL358946

SCHEMBL358946

CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.61
▸ MAPT P10636 6/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PPIA P62937 1/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ GAA P10253 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ RORC P51449 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL31171019 1.00 HTT (0.61) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL2337052 0.87 KMT2A (0.67) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL11526803 0.85 HTT (0.71) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL6349009 0.84 KMT2A (0.64) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL6348399 0.84 PDE7A (0.60) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL5857091 0.84 KMT2A (0.63) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL11311655 0.83 ALDH1A1 (0.65) HTTMAPTKMT2ASMN1; SMN2PPIA
SCHEMBL11522897 0.83 CYP3A4 (0.65) HTTMAPTKMT2APPIATSHR
SCHEMBL3164500 0.82 ALDH1A1 (0.66) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL10790188 0.82 HTT (0.68) HTTMAPTKMT2ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 — — CN disclosed
CN-105367577-B Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-04-23 — — CN disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 — — US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 — — US disclosed
EP-0656202-A1 Dyeing composition containing sulphurous p-phenylene-diamines, novel sulphurous p-phenylenediamines and method of preparation L'OREAL (FR) 1995-06-07 — — EP disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 — — US disclosed
EP-0303429-A2 Second harmonic generation with 5-chloro-2-nitroaniline MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-02-15 — — EP disclosed
US-4795826-A CHEMICAL INTERMEDIATES FOR BACTERICIDES AND ANTITUMOR AGENTS ATWELL GRAHAM J (NZ) 1989-01-03 — — US disclosed
US-4756598-A Second harmonic generation with 5-chloro-2-nitroaniline MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-07-12 — — US disclosed
US-4603125-A Substituted o-phenylenediamine acridine compounds having antitumor activity DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1986-07-29 — — US disclosed
US-4599428-A SALT FORMATION, THIOETHERIFICATION CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1986-07-08 — — US disclosed
US-4473697-A WITH GASEOUS CHLORINE AND A RHODANIDE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1984-09-25 — — US disclosed
EP-0095355-A1 Substituted o-phenylenediamine compounds WARNER-LAMBERT COMPANY (US) 1983-11-30 — — EP disclosed
EP-0027646-A1 Process for the preparation of benzimidazole derivatives CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1981-04-29 — — EP 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 HTT 3990/4885MAPT 1941/4885KMT2A 597/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 HTT 3990/4885MAPT 1941/4885KMT2A 597/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 HTT 3990/4885MAPT 1941/4885KMT2A 597/4885

“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.