SCHEMBL1010736

SCHEMBL1010736

O=[N+]([O-])c1cccc2c1CCNC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.58
CD44 P16070 2/20 0.53
ADRA2A P08913 1/20 0.51
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ACHE P22303 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAPT P10636 1/20 0.40
GPR35 Q9HC97 1/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PRCP P42785 1/20 0.38

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
SCHEMBL29507169 1.00 PNMT (0.58) PNMTCD44ADRA2AHTR2AHTR2C
Hydrochloric Acid SCHEMBL30418304 0.98 PNMT (0.57) PNMTCD44ADRA2AHTR2AHTR2C
SCHEMBL6097017 0.88 HTR2C (0.62) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL3891975 0.87 PNMT (0.71) PNMTCD44ADRA2AHTR2AHTR2C
SCHEMBL5274188 0.84 PNMT (0.51) PNMTADRA2AALDH1A1CYP3A4ALOX15
Bromide SCHEMBL9757191 0.83 PNMT (0.50) PNMTADRA2AALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL31335791 0.83 PNMT (0.50) PNMTADRA2AALDH1A1CYP3A4ALOX15
SCHEMBL11325727 0.81 PNMT (0.59) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL6294929 0.79 PNMT (0.58) PNMTADRA2AHTR2AHTR2CHTR2B
Maleic Acid SCHEMBL6098415 0.78 HTR2C (0.51) PNMTADRA2AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECH LIMITED (GB) 2026-05-21 US disclosed
EP-4612149-A1 PYRIDO[2,3-D]PYRIMIDIN-2-AMINE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
WO-2024094962-A1 PYRIDO[2,3-D]PYRIMIDIN-2-AMINE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
WO-2024019562-A1 HETEROBICYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 바오밥에이바이오 2024-01-25 WO disclosed
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2022-09-15 US disclosed
CN-114341127-A Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-04-12 CN disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
CN-106536503-B A kind of tyrosine kinase inhibitor and application thereof 北京澳合药物研究院有限公司 2019-09-06 CN disclosed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US disclosed
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
CN-1255124-A Substituted isoquinoline derivatives and their use as anticonulsants SMITHKLINE BEECHAM PLC (GB) 2000-05-31 CN disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 EP disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 WO disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed
EP-0038177-B1 ANTIALLERGIC IMIDODISULFAMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION SMITHKLINE BECKMAN CORPORATION (US) 1983-08-31 EP disclosed
US-4315935-A INHIBITING THE SYMPTOMS OF ASTHMA SMITHKLINE CORPORATION (US) 1982-02-16 US disclosed
EP-0038177-A1 Antiallergic imidodisulfamides, pharmaceutical compositions containing them and process for their preparation SMITHKLINE BECKMAN CORPORATION (US) 1981-10-21 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 (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-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, KRAS, O60361 PNMT 3401/4885CD44 4085/4885ADRA2A 2131/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A PNMT 119/4885CD44 4615/4885ADRA2A 677/4885
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF MAPKAPK5, STK25, STK35 PNMT 2313/4885CD44 4860/4885ADRA2A 1758/4885

“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.