SCHEMBL426331

SCHEMBL426331

O=C1NCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.57
PARP1 P09874 6/20 0.57
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
ADRA2A P08913 1/20 0.54
PNMT P11086 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 1/20 0.51
TDP2 O95551 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
PARP11 Q9NR21 3/20 0.50
PDPK1 O15530 1/20 0.50
CAPN9 O14815 1/20 0.47
CASP3 P42574 1/20 0.47
PTPRC P08575 1/20 0.47
S100A4 P26447 1/20 0.47

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
SCHEMBL2060885 0.91 TDP2 (0.49) PARP10PARP1F7F3ADRA2A
SCHEMBL14571335 0.87 TDP2 (0.59) PARP10PARP1F7F3ADRA2A
SCHEMBL2144234 0.83 CYP3A4 (0.54) PARP1ADRA2APNMTTDP1CYP3A4
Methane SCHEMBL28101344 0.82 CYP3A4 (0.53) PARP1ADRA2APNMTTDP1CYP3A4
SCHEMBL4947661 0.81 PNMT (0.63) PARP10PARP1F7F3ADRA2A
SCHEMBL427407 0.78 PNMT (0.58) ADRA2APNMTTDP1TDP2MAPT
SCHEMBL31378863 0.78 PNMT (0.58) ADRA2APNMTTDP1TDP2MAPT
SCHEMBL16559365 0.78 MAPT (0.61) ADRA2APNMTTDP1CYP3A4TDP2
SCHEMBL31016159 0.77 PARP10 (0.52) PARP10PARP1F7F3ADRA2A
SCHEMBL27046075 0.77 PARP10 (0.49) PARP10PARP1F7F3ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120152713-A Tricyclic aryl derivatives and compositions and methods thereof 昂胜医疗科技公司 2025-06-13 CN disclosed
EP-4561562-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026128-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
CN-110294742-B Fused ring ASK1 inhibitor and application thereof 山东轩竹医药科技有限公司 2023-01-31 CN disclosed
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 US disclosed
WO-2018208132-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-11-15 WO disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
US-6348475-B1 POLYMERASE INHIBITOR GUILFORD PHARMACEUTICALS INC. 2002-02-19 US disclosed
US-20020019417-A1 Methods, compounds and compositions for treating gout EISAI INC. 2002-02-14 US disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
US-5602145-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-02-11 US disclosed
EP-0702671-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1996-06-19 EP disclosed
EP-0702671-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-27 EP disclosed
WO-1994029273-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-22 WO disclosed
US-4112112-A Pyrrolo[2,1-b] [3]benzazepines useful for producing a skeletal muscle relaxing or tranquilizing effect MERCK & CO., INC. (US) 1978-09-05 US disclosed
US-4075225-A Pyrrolo[2,1-b][3]benzazepines MERCK & CO., INC. (US) 1978-02-21 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 (5 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-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK PARP10 1093/4885PARP1 545/4885F7 2200/4885
US-20020019417-A1 Methods, compounds and compositions for treating gout PARP2, PARP1, PARP3 PARP10 15/4885PARP1 2/4885F7 3200/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PARP10 1834/4885PARP1 1127/4885F7 3369/4885
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 PARP10 512/4885PARP1 1292/4885F7 4846/4885
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT BTK, SYK, LCK PARP10 1093/4885PARP1 545/4885F7 2200/4885

“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.