SCHEMBL2954444

SCHEMBL2954444

Fc1ccc(Oc2ccc3c(N4C[C@@H]5C[C@H]4CO5)nncc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 5/20 0.40
MAPK1 P28482 1/20 0.37
GRM4 Q14833 3/20 0.37
ACACB O00763 3/20 0.36
DLK1 P80370 1/20 0.36
MTOR P42345 2/20 0.35
PIK3CA P42336 1/20 0.35
PRKDC P78527 1/20 0.35
SOS1 Q07889 2/20 0.35
MAP3K13 O43283 2/20 0.34
SCN9A Q15858 2/20 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
SCHEMBL2944698 0.73 MAPK14 (0.50) MAPK1
SCHEMBL2949210 0.67 ABL1 (0.40) SCN9A
SCHEMBL2954098 0.67 S1PR2 (0.39) SCN9A
SCHEMBL2954669 0.67 SCN9A (0.46) MAPK1SCN9A
SCHEMBL2951647 0.65 MAPK14 (0.40) SCN9A
SCHEMBL2953480 0.62 MAPK14 (0.53)
SCHEMBL2948274 0.61 MAPK14 (0.54) SCN9A
SCHEMBL2952776 0.61 MAPK14 (0.54) SCN9A
SCHEMBL2953194 0.60 MAPK14 (0.50) SCN9A
SCHEMBL2951418 0.60 MAPK14 (0.68) SCN9A

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 4 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
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 MAP3K12 15/4885MAPK1 111/4885GRM4 2259/4885

“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.