SCHEMBL2190307

SCHEMBL2190307

COc1ccc(-n2cc(-c3ccccc3)nn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.67
PTGS1 P23219 2/20 0.67
CA1 P00915 5/20 0.65
CA2 P00918 4/20 0.65
CA5A P35218 2/20 0.65
CA5B Q9Y2D0 2/20 0.65
CYP1B1 Q16678 1/20 0.60
CA12 O43570 4/20 0.57
CA9 Q16790 4/20 0.57
STIM1 Q13586 3/20 0.57
ORAI1 Q96D31 3/20 0.57
OGT O15294 1/20 0.54
P2RX7 Q99572 1/20 0.54
FLT3 P36888 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL26628314 0.97 PTGS2 (0.67) PTGS2PTGS1CA1CA2CA5A
SCHEMBL12420365 0.94 PTGS2 (0.67) PTGS2PTGS1CA1CA2CA5A
SCHEMBL27903094 0.92 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA5A
SCHEMBL22833938 0.89 CYP1B1 (0.63) PTGS2PTGS1CA1CA2CA5A
SCHEMBL28320917 0.86 PTGS2 (0.69) PTGS2PTGS1CA1CA2CA5A
SCHEMBL28148254 0.86 PTGS2 (0.69) PTGS2PTGS1CA1CA2CA5A
SCHEMBL16460181 0.85 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA5A
SCHEMBL18031105 0.85 PTGS2 (0.67) PTGS2PTGS1CA1CA2CA5A
SCHEMBL26628312 0.83 PTGS2 (0.67) PTGS2PTGS1CA1CA2CA5A
SCHEMBL182731 0.83 STIM1 (0.66) PTGS2PTGS1CA1CA2CA5A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114144520-A Enhanced nucleic acid polymerization by aromatic compounds 斯特拉托斯基因公司 2022-03-04 CN claimed
CN-114144520-A Enhanced nucleic acid polymerization by aromatic compounds 斯特拉托斯基因公司 2022-03-04 CN disclosed
CN-110563659-B Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot 浙江工业大学 2020-08-21 CN disclosed
CN-110563659-A Method for preparing 1,2, 3-triazole compound by heterogeneous copper catalysis in one pot 浙江工业大学 2019-12-13 CN disclosed
CN-106588787-B A kind of application of the triazole of 1,2,3- containing sweet-smelling formacyl ligand 昆明理工大学 2019-09-27 CN disclosed
CN-106588788-B The method of one pot of two-step method synthesis 1,2,3- triazole compound 河南师范大学 2019-07-16 CN disclosed
CN-106588787-A Arylformyl group-containing 1,2,3-triazole ligand, and preparation method and application thereof 昆明理工大学 2017-04-26 CN disclosed
US-9375705-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-06-28 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
US-20140302984-A1 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-10-09 US disclosed
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US disclosed
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US disclosed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US disclosed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US disclosed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US disclosed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US 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-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof AOC3, AOC2, USP13 PTGS2 1329/4885PTGS1 1730/4885CA1 423/4885
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 PTGS2 481/4885PTGS1 440/4885CA1 4087/4885
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 PTGS2 481/4885PTGS1 440/4885CA1 4087/4885

“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.