Sugi Predict

Sugi Predict / Compounds / SCHEMBL5255709

SCHEMBL5255709

SCHEMBL5255709

Cn1nnc(-c2ccc(N)c([N+](=O)[O-])c2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ TDP1 Q9NUW8 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ POLB P06746 2/20 0.57
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PKM P14618 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ MPI P34949 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
SCHEMBL15145650 0.83 MAPT (0.45) MAPTNPSR1ALDH1A1LMNA
SCHEMBL1674287 0.79 XDH (0.49) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL2879226 0.79 MEN1 (0.45) TDP1MEN1KMT2ACYP3A4LMNA
SCHEMBL2651131 0.77 ALDH1A1 (0.57) MAPTMEN1KMT2APOLBTSHR
SCHEMBL29678264 0.77 ALDH1A1 (0.57) MAPTMEN1KMT2APOLBTSHR
SCHEMBL17825433 0.76 CYP19A1 (0.48) MAPTMEN1KMT2APOLBTSHR
SCHEMBL12841642 0.75 MAPT (0.57) MAPTTDP1MEN1KMT2APOLB
SCHEMBL12375846 0.75 MAPT (0.57) MAPTTDP1MEN1KMT2APOLB
SCHEMBL15650550 0.75 ALDH1A1 (0.48) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29409289 0.75 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 — — US disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 — — EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 — — EP disclosed
CN-111793068-A Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2020-10-20 — — CN disclosed
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 — — US disclosed
CN-105307657-B Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2020-07-10 — — CN disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 — — US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 — — US disclosed
US-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 — — US disclosed
US-10065966-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2018-09-04 — — US disclosed
US-20090062327-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2009-03-05 — — US disclosed
US-20080009507-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-01-10 — — US disclosed
US-20080009507-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-01-10 — — US disclosed
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 — — EP disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 — — US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 — — US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 — — US disclosed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 — — US disclosed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 — — EP disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 — — 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 (9 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC MAPT 4190/4885TDP1 2059/4885MEN1 3268/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885TDP1 2415/4885MEN1 606/4885
US-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885TDP1 2415/4885MEN1 606/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK MAPT 2455/4885TDP1 710/4885MEN1 4052/4885
US-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885TDP1 2415/4885MEN1 606/4885
US-20090062327-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG MAPT 4460/4885TDP1 2121/4885MEN1 1098/4885
US-20050222155-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 MAPT 2492/4885TDP1 1048/4885MEN1 2983/4885
US-10065966-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CDK2, PDXK, MAP4K2 MAPT 2952/4885TDP1 839/4885MEN1 3369/4885
US-20080009507-A1 Inhibitors of Akt Activity PIK3CD, PIK3CA, PIK3CG MAPT 4460/4885TDP1 2121/4885MEN1 1098/4885

“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.