SCHEMBL4091300

SCHEMBL4091300

COc1ccc(Cn2cc([N+](=O)[O-])c(C(N)=O)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
KCNMA1 Q12791 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 1/20 0.43
LMNA P02545 3/20 0.43
AADAT Q8N5Z0 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
NTSR1 P30989 1/20 0.41

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
SCHEMBL1645044 0.89 DCTPP1 (0.47) DCTPP1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL3588480 0.89 NPC1 (0.49) DCTPP1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL3585976 0.88 NPC1 (0.52) DCTPP1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL4709688 0.87 DCTPP1 (0.46) DCTPP1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL1645500 0.85 DCTPP1 (0.47) DCTPP1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL29300823 0.81 HSP90AA1 (0.47) DCTPP1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL4100807 0.81 ALDH1A1 (0.49) NPC1RAB9AALDH1A1AADATSMN1; SMN2
SCHEMBL17458914 0.81 DCTPP1 (0.51) DCTPP1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16963093 0.81 HSP90AA1 (0.48) DCTPP1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL3586212 0.81 HSP90AA1 (0.48) DCTPP1NPC1RAB9AHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US claimed
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2026-03-19 US disclosed
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-08-26 US disclosed
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 CN disclosed
US-20240368167-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-11-07 US disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 CN disclosed
US-11987584-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-21 US disclosed
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-05 US disclosed
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 RIBON THERAPEUTICS, INC. (US) 2022-12-27 US disclosed
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed
US-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-04 US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 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 (8 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-20240368167-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 DCTPP1 275/4885NPC1 3220/4885RAB9A 2278/4885
US-20210032251-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 DCTPP1 275/4885NPC1 3220/4885RAB9A 2278/4885
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 DCTPP1 275/4885NPC1 3220/4885RAB9A 2278/4885
US-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 DCTPP1 2468/4885NPC1 1996/4885RAB9A 1821/4885
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 DCTPP1 275/4885NPC1 3220/4885RAB9A 2278/4885
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, CD22, CD79B DCTPP1 2561/4885NPC1 1016/4885RAB9A 2213/4885
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 DCTPP1 275/4885NPC1 3220/4885RAB9A 2278/4885
US-11987584-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 DCTPP1 275/4885NPC1 3220/4885RAB9A 2278/4885

“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.