SCHEMBL659466

SCHEMBL659466

Oc1cc2ccsc2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.40
DYRK1A Q13627 1/20 0.38
CYP2A6 P11509 2/20 0.37
KDM4E B2RXH2 3/20 0.37
CHRNA7 P36544 3/20 0.36
HTR3A P46098 1/20 0.36
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
LMNA P02545 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34

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
SCHEMBL4856067 0.76 CHRNA7 (0.45) GRM4CYP2A6KDM4ECHRNA7HTR3A
SCHEMBL660629 0.75 DYRK1A (0.38) GRM4DYRK1ACYP2A6KDM4ECHRNA7
SCHEMBL157982 0.75 CYP2A6 (0.47) GRM4DYRK1ACYP2A6KDM4ECHRNA7
SCHEMBL659606 0.75 DYRK1A (0.38) GRM4DYRK1ACYP2A6KDM4ECHRNA7
SCHEMBL657606 0.75 DYRK1A (0.50) GRM4DYRK1ACYP2A6KDM4ECHRNA7
SCHEMBL8114596 0.75 DYRK1A (0.38) GRM4DYRK1ACYP2A6KDM4ECHRNA7
SCHEMBL31230400 0.73 CHRNA7 (0.46) KDM4ECHRNA7HTR3AMAPTALDH1A1
SCHEMBL843121 0.73 CHRNA7 (0.46) KDM4ECHRNA7HTR3AMAPTALDH1A1
SCHEMBL1207766 0.72 CHRNA7 (0.48) GRM4DYRK1ACYP2A6CHRNA7HTR3A
Lithium Ion SCHEMBL31230337 0.71 CHRNA7 (0.44) GRM4DYRK1ACYP2A6KDM4ECHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 US disclosed
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 WO 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 GRM4 2095/4885DYRK1A 2154/4885CYP2A6 1912/4885
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 GRM4 4267/4885DYRK1A 155/4885CYP2A6 1714/4885

“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.