SCHEMBL2427481

SCHEMBL2427481

NCc1ccc(-c2ncccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 1.00
HRH3 Q9Y5N1 1/20 0.56
TAAR1 Q96RJ0 4/20 0.54
LOXL2 Q9Y4K0 5/20 0.52
CYP2A6 P11509 1/20 0.52
CLK4 Q9HAZ1 1/20 0.47
LTA4H P09960 1/20 0.45
AOC3 Q16853 2/20 0.44
ASIC3 Q9UHC3 1/20 0.41
ABAT P80404 1/20 0.41

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
SCHEMBL28135249 0.98 ADRB2 (0.96) ADRB2HRH3TAAR1LOXL2CYP2A6
SCHEMBL13978024 0.88 ADRB2 (0.78) ADRB2HRH3TAAR1LOXL2CYP2A6
SCHEMBL23291109 0.83 ADRB2 (0.70) ADRB2TAAR1LOXL2CYP2A6
SCHEMBL29676764 0.81 ADRB2 (0.68) ADRB2TAAR1LOXL2CYP2A6CLK4
SCHEMBL112429 0.81 ADRB2 (0.68) ADRB2TAAR1LOXL2CYP2A6CLK4
SCHEMBL27278090 0.80 ADRB2 (0.67) ADRB2HRH3TAAR1LOXL2CYP2A6
SCHEMBL6685962 0.80 CLK4 (0.64) ADRB2CYP2A6CLK4AOC3
SCHEMBL16269874 0.79 ADRB2 (0.66) ADRB2HRH3TAAR1LOXL2CYP2A6
SCHEMBL18814009 0.79 ADRB2 (0.65) ADRB2HRH3TAAR1LOXL2CYP2A6
SCHEMBL31565171 0.78 ADRB2 (0.62) ADRB2HRH3TAAR1LOXL2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102271682-A P2x3, receptor antagonists for treatment of pain 2011-12-07 CN claimed
EP-4618974-A1 OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2025-09-24 EP disclosed
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-11-21 US disclosed
WO-2024107615-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-23 WO disclosed
CN-117940427-A Substituted pyrazolo [1,5-a ] pyrimidine-7-amine compounds as CDK inhibitors and therapeutic uses thereof 卡里克治疗有限公司 2024-04-26 CN disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 EP disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 WO disclosed
CN-105461699-B Substituted heterocyclic compound and its application method and purposes 广东东阳光药业有限公司 2019-07-09 CN disclosed
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-03-15 US disclosed
US-9849098-B2 Compositions and methods for treating respiratory injury or disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-26 US disclosed
CN-101585814-B Aryl pyrimidine ortho-single halogen substituted compound and synthetic method thereof UNIV SHANGHAI SCIENCE & TECH 2011-08-10 CN disclosed
CN-101812022-A Ortho-monovinylphenyl substituted compound of aryl pyrimidine and synthesizing method thereof UNIV SHANGHAI 2010-08-25 CN disclosed
CN-101654439-A Ortho-position dihalogen substitution compound of aryl pyrimidine and preparing method thereof UNIV SHANGHAI 2010-02-24 CN disclosed
US-20100029669-A1 3-(SUBSTITUTED ETHYL)-RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA, NV (BE) 2010-02-04 US disclosed
CN-101585814-A Aryl pyrimidine ortho-single halogen substituted compound and synthetic method thereof UNIV SHANGHAI SCIENCE & TECH (CN) 2009-11-25 CN disclosed
CN-101406469-A Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods LUNDBECK & CO AS H (DK) 2009-04-15 CN disclosed
CN-100446767-C Use of GAL3 receptor antagonists for the manufacture of a medicament for the treatment of depression and/or anxiety and compounds useful in such a method SYNAPTIC PHARMA CORP (DK) 2008-12-31 CN disclosed
CN-1214014-C HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2005-08-10 CN disclosed
CN-1499970-A Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods �����յٿ�ҩ�����޹�˾ 2004-05-26 CN disclosed
CN-1295564-A HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2001-05-16 CN 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-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C9, C1S ADRB2 1942/4885HRH3 1229/4885TAAR1 4081/4885
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK3, CDK1, CDK2 ADRB2 3560/4885HRH3 2199/4885TAAR1 3817/4885
US-20100029669-A1 3-(SUBSTITUTED ETHYL)-RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, RPS27, MRPL21 ADRB2 2992/4885HRH3 4213/4885TAAR1 4728/4885

“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.