SCHEMBL901898

SCHEMBL901898

Nc1cccc(-c2ccncc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.69
CYP2D6 P10635 3/20 0.47
RAB9A P51151 2/20 0.47
AR P10275 2/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PDPK1 O15530 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAP2K3 P46734 1/20 0.44
NOS3 P29474 3/20 0.44
NOS1 P29475 2/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43

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
SCHEMBL11551239 0.84 RAB9A (0.62) ASIC3CYP2D6RAB9AARNPC1
SCHEMBL30465795 0.82 ASIC3 (1.00) ASIC3RAB9ANPC1CYP3A4PDPK1
SCHEMBL1039866 0.82 ASIC3 (1.00) ASIC3RAB9ANPC1CYP3A4PDPK1
SCHEMBL18745706 0.81 KMT2A (0.48) ASIC3CYP2D6RAB9AARNPC1
SCHEMBL12443810 0.80 ASIC3 (0.72) ASIC3RAB9ANPC1CYP3A4PDPK1
SCHEMBL9275978 0.78 ASIC3 (0.91) ASIC3RAB9ANPC1CYP3A4PDPK1
SCHEMBL29601960 0.78 ASIC3 (0.68) ASIC3CYP2D6RAB9ANPC1CYP1A2
SCHEMBL1073895 0.78 ASIC3 (0.68) ASIC3CYP2D6RAB9ANPC1CYP1A2
SCHEMBL901899 0.78 ASIC3 (0.57) ASIC3PDPK1KMT2AMEN1NOS3
SCHEMBL210834 0.78 CYP2A6 (0.62) ASIC3CYP2D6RAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663283-B1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THIN FILM FORMED FROM THE COMPOSITION SAMSUNG DISPLAY CO LTD (KR) 2021-11-03 EP disclosed
EP-3428149-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2021-07-28 EP disclosed
EP-3301097-B1 [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) SAMSUNG DISPLAY CO LTD (KR) 2020-08-19 EP disclosed
EP-3693372-A1 BENZOFURO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) Samsung Display Co., Ltd. (KR) 2020-08-12 EP disclosed
CN-107406425-B As adenosine A2bReceptor antagonists and melatonin MT32-aminopyridine derivatives of ligands for receptors 帕罗生物制药有限公司 2020-06-26 CN disclosed
US-10253017-B2 Derivatives of 2-aminopyridine as adenosine A2B receptor antagonists and ligands of the melatonin MT3 receptors PALOBIOFARMA, S.L. (ES) 2019-04-09 US disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed
EP-3301097-A2 [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) Samsung Display Co., Ltd. (KR) 2018-04-04 EP disclosed
US-20180037569-A1 DERIVATIVES OF 2-AMINOPYRIDINE AS ADENOSINE A2B RECEPTOR ANTAGONISTS AND LIGANDS OF THE MELATONIN MT3 RECEPTORS PALOBIOFARMA, S.L. (ES) 2018-02-08 US disclosed
WO-2014081166-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2014-05-30 WO disclosed
WO-2014025114-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2014-02-13 WO disclosed
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 EP disclosed
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US disclosed
WO-1994029277-A1 AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-12-22 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-10253017-B2 Derivatives of 2-aminopyridine as adenosine A2B receptor antagonists and ligands of the melatonin MT3 receptors ADORA2B, MTNR1A, ADORA3 ASIC3 500/4885CYP2D6 656/4885RAB9A 2185/4885
US-20180037569-A1 DERIVATIVES OF 2-AMINOPYRIDINE AS ADENOSINE A2B RECEPTOR ANTAGONISTS AND LIGANDS OF THE MELATONIN MT3 RECEPTORS ADORA2B, MTNR1A, ADORA3 ASIC3 500/4885CYP2D6 656/4885RAB9A 2185/4885

“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.