SCHEMBL2625319

SCHEMBL2625319

CC(C)(C)C1=NCCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
HTR1D P28221 5/20 0.42
HTR1B P28222 4/20 0.42
NISCH Q9Y2I1 5/20 0.38
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
ADRA1A P35348 3/20 0.33
TOP2A P11388 2/20 0.32
TOP2B Q02880 2/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1B P35368 2/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL26139843 0.93 NISCH (0.40) NOS3NOS1NOS2HTR1DHTR1B
SCHEMBL26139841 0.91 NISCH (0.39) NOS3NOS1NOS2HTR1DHTR1B
SCHEMBL1106435 0.85
SCHEMBL709292 0.80 NOS3 (0.40) NOS3NOS1NOS2HTR1DHTR1B
SCHEMBL11708297 0.80 NOS3 (0.40) NOS3NOS1NOS2HTR1DHTR1B
SCHEMBL709291 0.80 NOS3 (0.40) NOS3NOS1NOS2HTR1DHTR1B
Hydrochloric Acid SCHEMBL226047 0.79 NOS3 (0.39) NOS3NOS1NOS2HTR1DHTR1B
Hydrochloric Acid SCHEMBL3032314 0.79 NOS3 (0.39) NOS3NOS1NOS2HTR1DHTR1B
Hydrochloric Acid SCHEMBL5186472 0.79 NOS3 (0.39) NOS3NOS1NOS2HTR1DHTR1B
Hydrochloric Acid SCHEMBL226046 0.79 NOS3 (0.39) NOS3NOS1NOS2HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342742-A1 Process for the preparation of 2-alkylpyrimidines DowElanco (US) 1989-11-23 EP claimed
JP-2017178-A None JP disclosed
JP-59164757-A None JP disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 US disclosed
US-11008306-B2 Quinazolines as potassium ion channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-03-11 US disclosed
US-20200255407-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-13 US disclosed
US-20180030034-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
JP-H0217178-A PRODUCTION OF 2-ALKYLPYRIMIDINE DOW CHEM 1990-01-22 JP disclosed
EP-0342742-A1 Process for the preparation of 2-alkylpyrimidines DowElanco (US) 1989-11-23 EP disclosed
US-4880929-A OXIDATION, DEHYDRATION; OXIDATION CATALYSTS, METAL OXIDES, DIAMINOPROPANE WITH ACID STAMICARBON B.V. (NL) 1989-11-14 US disclosed
EP-0276503-A1 Process for preparing a 2-alkyl- or 2-phenyl-1,4,5,6-tetrahydropyrimidineand and process for the preparation of 2-alkyl- or 2-phenyl- pyrimidines DSM N.V. (NL) 1988-08-03 EP disclosed
EP-0193973-B1 METHOD OF PREPARATION OF 2-ALKYLPYRIMIDINE BY DEHYDROGENATION OF 2-ALKYLTETRAHYDROPYRIMIDINE THE DOW CHEMICAL COMPANY (US) 1988-07-06 EP disclosed
EP-0193973-A1 Method of preparation of 2-alkylpyrimidine by dehydrogenation of 2-alkyltetrahydropyrimidine THE DOW CHEMICAL COMPANY (US) 1986-09-10 EP disclosed
EP-0192297-A1 Process for the preparation of A 2-alkylpyrimidine STAMICARBON B.V. (NL) 1986-08-27 EP disclosed
US-4493929-A Preparation of 2-alkylpyrimidines THE DOW CHEMICAL COMPANY (US) 1985-01-15 US disclosed
JP-S59164757-A NOVEL AMINOPROPYLPIVALAMIDES, MANUFACTURE AND USE FOR PRODUCING 2-TERTIARY-BUTYL-1,4,5,6-TETRAHYDROPYRIMIDINE DOW CHEMICAL CO 1984-09-17 JP disclosed
EP-0117882-A1 Novel aminopropylpivalamides and a method of preparation THE DOW CHEMICAL COMPANY (US) 1984-09-12 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 (7 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 NOS3 2474/4885NOS1 778/4885NOS2 2829/4885
US-20200255407-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNK4, KCNQ4 NOS3 2787/4885NOS1 2702/4885NOS2 3647/4885
US-20180030034-A1 QUINAZOLINES AS POTASSIUM ION CHANNEL INHIBITORS KCNJ4, KCNK4, KCNQ4 NOS3 2787/4885NOS1 2702/4885NOS2 3647/4885
US-11008306-B2 Quinazolines as potassium ion channel inhibitors KCNJ4, KCNK4, KCNQ4 NOS3 2787/4885NOS1 2702/4885NOS2 3647/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 NOS3 2474/4885NOS1 778/4885NOS2 2829/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 NOS3 1959/4885NOS1 2407/4885NOS2 1974/4885
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 NOS3 4775/4885NOS1 4852/4885NOS2 4848/4885

“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.