Sugi Predict

Sugi Predict / Compounds / SCHEMBL4043569

SCHEMBL4043569

SCHEMBL4043569

CC(C)c1n[nH]c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ KMT2A Q03164 2/20 0.30
▸ HTT P42858 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL4041024 0.85 MAPT (0.36) POLBMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL4038271 0.78 MAPT (0.38) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL29169668 0.76 KDM4E (0.34) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL1527741 0.74 SMN1; SMN2 (0.41) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL6446382 0.74 PKM (0.38) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL16833007 0.74 MAPT (0.50) MAPTSMN1; SMN2NPC1MAPK1CASP3
SCHEMBL21625525 0.74 MAPT (0.37) MAPTSMN1; SMN2NPC1MAPK1CASP3
SCHEMBL1070 0.72 SMN1; SMN2 (0.52) KDM4EPOLBCTDSP1TDP1L3MBTL1
Methane SCHEMBL28911261 0.72 SMN1; SMN2 (0.52) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL5243766 0.71 ABCC8 (0.36) KDM4EPOLBCTDSP1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 — — US disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 — — US disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 — — US disclosed
US-10689388-B1 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-23 — — US disclosed
EP-3612030-A2 INDOLE AHR INHIBITORS AND USES THEREOF Kyn Therapeutics (US) 2020-02-26 — — EP disclosed
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 — — US disclosed
WO-2018195397-A2 INDOLE AHR INHIBITORS AND USES THEREOF KYN THERAPEUTICS (US) 2018-10-25 — — WO disclosed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 — — EP disclosed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 — — EP disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 — — US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 — — US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 — — US disclosed
EP-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 — — EP disclosed
CN-1780841-A 5,7-diaminopyrazolo[4,3-d]pyrimidines useful in the traetment of hypertension PFIZER LTD (GB) 2006-05-31 — — CN disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 — — WO disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 — — WO disclosed
EP-1620437-A1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION Pfizer Limited (GB) 2006-02-01 — — EP disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 — — US disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 — — WO disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 — — 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 (7 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-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 KDM4E 923/4885POLB 4041/4885CTDSP1 3913/4885
US-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 KDM4E 3392/4885POLB 4781/4885CTDSP1 4451/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 KDM4E 923/4885POLB 4041/4885CTDSP1 3913/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 KDM4E 923/4885POLB 4041/4885CTDSP1 3913/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 KDM4E 923/4885POLB 4041/4885CTDSP1 3913/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 KDM4E 923/4885POLB 4041/4885CTDSP1 3913/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 KDM4E 3392/4885POLB 4781/4885CTDSP1 4451/4885

“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.