SCHEMBL1225985

SCHEMBL1225985

CC(=O)Nc1nc(=O)[nH]cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTK2 Q05397 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ABL1 P00519 2/20 0.35
LMNA P02545 2/20 0.34
DYRK1A Q13627 1/20 0.33
IDO1 P14902 1/20 0.33
CYP1A2 P05177 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDO2 P48775 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5694241 0.84 ALDH1A1 (0.44) GDAALDH1A1ADORA3LMNASMN1; SMN2
SCHEMBL12894751 0.83 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2
SCHEMBL8888536 0.82 ROCK2 (0.39) GDAALDH1A1PTK2ABL1
SCHEMBL1271343 0.82 MAP2K1 (0.35) GDAALDH1A1PTK2ADORA3DYRK1A
SCHEMBL8885922 0.81 GDA (0.34) GDAALDH1A1ADORA2ALMNA
SCHEMBL18325718 0.79 MAT2A (0.37) ALDH1A1LMNASMN1; SMN2
SCHEMBL7052872 0.78 ADORA2A (0.44) ALDH1A1ADORA3ADORA2ADYRK1ACYP1A2
SCHEMBL7063733 0.77 ALDH1A1 (0.43) ALDH1A1ADORA3CYP1A2RAB9ASMN1; SMN2
SCHEMBL18325670 0.77 XDH (0.39) ABL1LMNA
SCHEMBL2852189 0.76 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226130-A1 4'-THIONUCLEOSIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2024-07-11 US disclosed
EP-2519512-B1 N1-ACYL- 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD (IL) 2019-03-20 EP disclosed
EP-2519512-B1 N1-ACYL- 5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD (IL) 2019-03-20 EP disclosed
US-9861652-B2 2′ Fluoronucleosides EMORY UNIVERSITY (US) 2018-01-09 US disclosed
EP-1525209-B1 1'-, 2'- AND 3' -MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-11-15 EP disclosed
WO-2016203337-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER MOHAN M ALAPATI (IN) 2016-12-22 WO disclosed
WO-2016203352-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER MOHAN M ALAPATI (IN) 2016-12-22 WO disclosed
US-20160158266-A1 2' FLUORONUCLEOSIDES EMORY UNIVERSITY 2016-06-09 US disclosed
US-9180138-B2 2′-fluoronucleosides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-11-10 US disclosed
US-8470839-B2 N1-acyl-5-fluoropyrimidinone derivatives DOW AGROSCIENCES, LLC. (US) 2013-06-25 US disclosed
EP-1058686-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 2000-12-13 EP disclosed
US-6069250-A STEREOSELECTIVE SYNTHESIS OF THE BETA (CIS) ISOMER BY GLYCOSYLATING THE BASE WITH A 2-PROTECTED HYDROXYL-4-HALO-1,3-DIOXOLANE AT A TEMPERATURE OF-10 DEGREES C.; KINETICS BIOCHEM PHARMA INC. (CA) 2000-05-30 US disclosed
EP-0970074-A1 METHOD AND COMPOSITIONS FOR THE SYNTHESIS OF DIOXOLANE NUCLEOSIDES WITH $g(b)-CONFIGURATION BIOCHEM PHARMA INC (CA) 2000-01-12 EP disclosed
WO-1999043691-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 1999-09-02 WO disclosed
US-5922867-A GLYCOSYLATING THE NUCLEOSIDE BASE WITH AN CHEMICAL INTERMEDIATE BELOW A TEMPERATURE OF ABOUT-10.DEGREE. C. BIOCHEM PHARMA INC. (CA) 1999-07-13 US disclosed
CN-1208414-A Method and compositions for the synthesis of dioxolane nucleosides with 'beta'-configuration IAF BIOCHEM INT (CA) 1999-02-17 CN disclosed
WO-1997021706-A1 METHOD AND COMPOSITIONS FOR THE SYNTHESIS OF DIOXOLANE NUCLEOSIDES WITH β-CONFIGURATION BIOCHEM PHARMA INC. (CA) 1997-06-19 WO disclosed
US-5597824-A VIRICIDES ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5420276-A Ring contraction via diazoketone intermediate, active against herpes ABBOTT LABORATORIES (US) 1995-05-30 US disclosed
EP-0433898-A2 Analogs of oxetanyl purines and pyrimidines ABBOTT LABORATORIES (US) 1991-06-26 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 (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-20240226130-A1 4'-THIONUCLEOSIDE ANALOGUES AND THEIR PHARMACEUTICAL USE TYMP, MTAP, TPMT GDA 179/4885ALDH1A1 2800/4885PTK2 4852/4885
US-20160158266-A1 2' FLUORONUCLEOSIDES PNP, BCL3, NPC1 GDA 616/4885ALDH1A1 3494/4885PTK2 3822/4885

“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.