SCHEMBL1269277

SCHEMBL1269277

O=[N+]([O-])c1ccc2c(c1)CCNC2

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 8/20 0.87
▸ ADRA2A P08913 5/20 0.87
▸ ASIC3 Q9UHC3 1/20 0.51
▸ ADRA2B P18089 2/20 0.49
▸ ADRA2C P18825 2/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ TDP2 O95551 1/20 0.46

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
Hydrochloric Acid SCHEMBL10004303 0.98 PNMT (0.84) PNMTADRA2AASIC3ADRA2BADRA2C
SCHEMBL324460 0.93 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
SCHEMBL29382023 0.93 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29651180 0.92 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL325622 0.92 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL27698594 0.92 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
SCHEMBL717840 0.89 PNMT (0.81) PNMTADRA2AADRA2BADRA2CTDP2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL5485986 0.89 PNMT (0.85) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1947220 0.88 PNMT (0.78) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL383577 0.85 PNMT (0.74) PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241559-A Quinazoline macrocyclic compound serving as HPK1 kinase inhibitor and preparation method and application thereof 深圳市新樾生物科技有限公司 2025-01-03 — — CN disclosed
EP-4464699-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Lisen Therapeutics, Inc. (US) 2024-11-20 — — EP disclosed
US-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF LISEN THERAPEUTICS, INC. 2024-10-31 — — US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 — — US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 — — US disclosed
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 — — WO disclosed
CN-109810111-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2023-10-27 — — CN disclosed
WO-2023134582-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海立森印迹医药技术有限公司 2023-07-20 — — WO disclosed
CN-116444488-A Pyrimidine-2, 4-diamine derivative and preparation method and application thereof 上海立森印迹医药技术有限公司 2023-07-18 — — CN disclosed
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure ELEX BIOTECH, INC. (US) 2022-08-30 — — US disclosed
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 — — EP disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — WO disclosed
US-6121283-A Apo B-secretion/MTP inhibitory amides PFIZER INC (US) 2000-09-19 — — US disclosed
EP-0944602-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1999-09-29 — — EP disclosed
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 — — US disclosed
WO-1998023593-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1998-06-04 — — WO disclosed
EP-0832069-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1998-04-01 — — EP disclosed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 — — 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 (3 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-20240360145-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF DPYD, TYMP, TYMS PNMT 1192/4885ADRA2A 2491/4885ASIC3 3988/4885
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B PNMT 2907/4885ADRA2A 4765/4885ASIC3 4318/4885
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure RYR2, RYR1, CACNA1F PNMT 3907/4885ADRA2A 256/4885ASIC3 190/4885

“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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