SCHEMBL2490866

SCHEMBL2490866

Cc1nc2ccc(F)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42

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
SCHEMBL2061652 0.84 L3MBTL1 (0.56) SMN1; SMN2ALDH1A1POLBGAAL3MBTL1
SCHEMBL30300530 0.84 L3MBTL1 (0.56) SMN1; SMN2ALDH1A1POLBGAAL3MBTL1
SCHEMBL5541680 0.79 KDM4E (0.63) SMN1; SMN2ALDH1A1POLBGAAL3MBTL1
SCHEMBL14330030 0.79 GAA (0.59) SMN1; SMN2ALDH1A1POLBGAAL3MBTL1
SCHEMBL19914273 0.77 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBGAAL3MBTL1
SCHEMBL23033213 0.76 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1POLBGAAL3MBTL1
SCHEMBL353596 0.76 POLB (0.48) SMN1; SMN2ALDH1A1POLBGAAL3MBTL1
SCHEMBL1655937 0.76 ESR1 (0.58) SMN1; SMN2ALDH1A1POLB
SCHEMBL5542616 0.76 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2056293 0.76 PIK3CG (0.61) SMN1; SMN2ALDH1A1POLBGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205366-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS CARTHRONIX, INC. (US) 2023-10-26 WO disclosed
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2022-06-02 US disclosed
US-10759764-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-09-01 US disclosed
US-20200216449-A1 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof Tang, YaJie (CN) 2020-07-09 US disclosed
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 WO disclosed
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 WO disclosed
WO-2019056800-A1 4-SULFUR SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 汤亚杰 2019-03-28 WO disclosed
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 EP disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
US-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006040646-A1 BENZIMIDAZOLE OR INDOLE AMIDES AS INHIBITORS OF PIN1 PFIZER, INC. (US) 2006-04-20 WO disclosed
US-20050222164-A1 extra pyramidal syndrome, dystonia, restless leg syndrome or periodic limb movement in sleep; central nervous system diosrders; neurodegenerative diseases; attention deficit disorders; sedatives, antixiolytic and antiepileptic agents MERCK SHARP & DOHME LLC 2005-10-06 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6897217-B2 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2005-05-24 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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 (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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 SMN1; SMN2 813/4885ALDH1A1 892/4885POLB 2691/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 SMN1; SMN2 3985/4885ALDH1A1 355/4885POLB 1637/4885
US-20220169581-A1 DIRECT AROMATIC CARBON-OXYGEN AND CARBON-HYDROGEN BOND FUNCTIONALIZATION VIA ORGANIC PHOTOREDOX CATALYST PPOX, CYCS, SCO2 SMN1; SMN2 4672/4885ALDH1A1 727/4885POLB 1118/4885
US-20050222164-A1 extra pyramidal syndrome, dystonia, restless leg syndrome or periodic limb movement in sleep; central nervous system diosrders; neurodegenerative diseases; attention deficit disorders; sedatives, antixiolytic and antiepileptic agents DRD3, DRD2, SLC6A3 SMN1; SMN2 680/4885ALDH1A1 1507/4885POLB 2657/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 SMN1; SMN2 837/4885ALDH1A1 591/4885POLB 2827/4885
US-10759764-B2 Fluorination of organic compounds FLI1, SLCO2B1, SLCO1B3 SMN1; SMN2 4597/4885ALDH1A1 142/4885POLB 2210/4885
US-20200216449-A1 4-Sulfur Substituted Podophyllotoxin Derivative and Preparation Method Therefor and Use Thereof TPMT, WEE1, DHFR SMN1; SMN2 4687/4885ALDH1A1 309/4885POLB 3698/4885

“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.