Sugi Predict

Sugi Predict / Compounds / SCHEMBL773117

SCHEMBL773117

SCHEMBL773117

NC(=NO)c1ccc2nccn2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.47
▸ DYRK1A Q13627 2/20 0.44
▸ MAOB P27338 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ S1PR3 Q99500 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ NAMPT P43490 8/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ KDM1A O60341 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL773116 1.00 KEAP1 (0.47) KEAP1DYRK1AMAOBMEN1CYP1A2
SCHEMBL160745 0.79 MAOB (0.51) KEAP1DYRK1AMAOBMEN1CYP1A2
SCHEMBL4402398 0.79 KEAP1 (0.50) KEAP1DYRK1AMAOBMEN1CYP1A2
Hydrochloric Acid SCHEMBL30259053 0.78 MAOB (0.50) KEAP1DYRK1AMAOBMEN1CYP1A2
SCHEMBL12618926 0.77 KDM1A (0.38) KEAP1DYRK1AHDAC1NAMPTKDM1A
Formic Acid SCHEMBL31105273 0.74 MAOB (0.47) KEAP1DYRK1AMAOBMEN1CYP1A2
SCHEMBL173528 0.74 MAOB (0.52) KEAP1DYRK1AMAOBMEN1CYP1A2
SCHEMBL12618940 0.73 DYRK1A (0.37) KEAP1DYRK1AMAOBCYP1A2KMT2A
SCHEMBL12653263 0.73 DYRK1A (0.37) KEAP1DYRK1AMAOBCYP1A2KMT2A
SCHEMBL24231495 0.72 DYRK1A (0.46) KEAP1DYRK1AMAOBMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 — — EP disclosed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 — — US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 — — US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 — — US disclosed
EP-2440554-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS Merck Serono S.A. (CH) 2012-04-18 — — EP disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 — — US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 — — US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 — — EP disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 — — US disclosed
WO-2010142628-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO S.A. (CH) 2010-12-16 — — WO disclosed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 — — US disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 — — WO disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 — — EP disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 — — US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 — — EP disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 — — US disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 — — 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 KEAP1 3212/4885DYRK1A 4148/4885MAOB 2739/4885
US-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 KEAP1 3275/4885DYRK1A 3071/4885MAOB 3718/4885
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain CHRNA1, CHRNG, CHRNA4 KEAP1 3718/4885DYRK1A 2235/4885MAOB 1046/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 KEAP1 842/4885DYRK1A 4194/4885MAOB 115/4885
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 KEAP1 2783/4885DYRK1A 3490/4885MAOB 3519/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 KEAP1 3275/4885DYRK1A 3071/4885MAOB 3718/4885

“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.