SCHEMBL4646642

SCHEMBL4646642

Nc1c(C(=O)O)cnn1-c1ccc(F)nc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.52
PTPN1 P18031 5/20 0.52
RIPK2 O43353 1/20 0.50
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
BTK Q06187 1/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 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
SCHEMBL8035072 0.88 RIPK2 (0.61) MAPK14PTPN1RIPK2RAB9ASMN1; SMN2
SCHEMBL2792560 0.83 MAPK14 (0.72) MAPK14PTPN1RIPK2
SCHEMBL21605126 0.80 MAPT (0.68) RAB9ASMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL4647149 0.80 MAPK14 (0.50) MAPK14PTPN1RIPK2RAB9ASMN1; SMN2
SCHEMBL3374511 0.79 PTPN1 (0.65) MAPK14PTPN1RIPK2RAB9ASMN1; SMN2
SCHEMBL1335080 0.78 RIPK2 (0.78) MAPK14PTPN1RIPK2RAB9ASMN1; SMN2
SCHEMBL3376508 0.77 MAPK14 (0.56) MAPK14PTPN1RIPK2RAB9ASMN1; SMN2
SCHEMBL3374632 0.77 PTPN1 (0.69) MAPK14PTPN1RIPK2RAB9ASMN1; SMN2
SCHEMBL594205 0.77 RIPK2 (0.58) MAPK14PTPN1RIPK2RAB9ASMN1; SMN2
SCHEMBL7806742 0.77 MAPT (0.55) MAPK14PTPN1RIPK2RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200519-A1 TETRAHYDRONAPHTHALENYLAMIDES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-08-21 US disclosed
WO-2008098798-A1 TETRAHYDRONAPHTHALENYLAMIDES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-21 WO disclosed
EP-1958934-A1 Tetrahydronaphthalenylamides, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-20 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 (1 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-20080200519-A1 TETRAHYDRONAPHTHALENYLAMIDES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS PTGES, PTGS1, PTGS2 MAPK14 1641/4885PTPN1 4630/4885RIPK2 2450/4885

“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.