SCHEMBL2124914

SCHEMBL2124914

COC(=O)C(C)(C)c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34

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
SCHEMBL16923784 0.89 CYP2C19 (0.50) CYP2C19NPSR1GAAPOLBLMNA
SCHEMBL26110877 0.86 THRB (0.40) CYP2C19NPSR1GAAPOLBLMNA
SCHEMBL30276192 0.86 THRB (0.40) CYP2C19NPSR1GAAPOLBLMNA
SCHEMBL16916752 0.79 CYP2C19 (0.36) CYP2C19NPSR1GAAPOLBLMNA
SCHEMBL16916748 0.79 CYP2C19 (0.36) CYP2C19NPSR1GAAPOLBLMNA
SCHEMBL28813054 0.76 ALDH1A1 (0.39) NPSR1GAAPOLBLMNASMN1; SMN2
SCHEMBL29175539 0.76 SMN1; SMN2 (0.36) CYP2C19GAAPOLBLMNACYP1A2
SCHEMBL29060088 0.76 MAPT (0.42) CYP2C19GAAPOLBLMNACYP1A2
SCHEMBL2125102 0.75 MAPT (0.46) CYP2C19NPSR1POLBLMNACYP1A2
SCHEMBL30484019 0.75 NPSR1 (0.50) CYP2C19NPSR1GAAPOLBABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235719-A1 DIMERIC SMAC MIMETICS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2025-11-13 — — WO disclosed
US-20250326771-A1 PIPERAZINE DERIVATIVES USEFUL IN HIV THERAPY VIIV HEALTHCARE CO (US) 2025-10-23 — — US disclosed
CN-119487019-A Piperazine derivatives for HIV therapy VIIV保健公司 2025-02-18 — — CN disclosed
WO-2023230541-A1 PIPERAZINE DERIVATIVES USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2023-11-30 — — WO disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 — — EP disclosed
WO-2022116995-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-06-09 — — WO disclosed
WO-2022033455-A1 TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 — — WO disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 — — US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 — — US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 — — US disclosed
WO-2014089324-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-06-12 — — WO disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 — — EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 — — US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 — — US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 — — US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — 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 (2 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-20250326771-A1 PIPERAZINE DERIVATIVES USEFUL IN HIV THERAPY CCR5, THPO, IL5 CYP2C19 981/4885NPSR1 1752/4885GAA 1481/4885
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 CYP2C19 1555/4885NPSR1 2664/4885GAA 2673/4885

“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.

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