SCHEMBL2953993

SCHEMBL2953993

Cc1cc(S(N)(=O)=O)ccc1-c1nncc2cc(Oc3ccc(F)cc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.49
SOS1 Q07889 3/20 0.46
SCN9A Q15858 7/20 0.42
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL2948274 0.86 MAPK14 (0.54) MAPK14SCN9A
SCHEMBL2955682 0.81 MAPK14 (0.54) MAPK14SCN9A
SCHEMBL2951418 0.80 MAPK14 (0.68) MAPK14SCN9A
SCHEMBL2946314 0.78 PTGS2 (0.47) MAPK14PTGS1PTGS2
SCHEMBL599489 0.74 MAPK14 (0.74) MAPK14SCN9APTGS2
SCHEMBL2952007 0.72 MAPK14 (0.56) MAPK14SCN9A
SCHEMBL2953194 0.71 MAPK14 (0.50) MAPK14SCN9AALDH1A1
SCHEMBL2952255 0.71 MAPK14 (0.53) MAPK14
SCHEMBL2956155 0.71 MAPK14 (0.55) MAPK14SCN9AALDH1A1HTT
SCHEMBL2952282 0.70 MAPK14 (0.48) MAPK14SCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 EP claimed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US claimed
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 EP claimed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO claimed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 US claimed
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 MAPK14 293/4885SOS1 3829/4885SCN9A 4568/4885

“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.