SCHEMBL2945585

SCHEMBL2945585

Cc1ccccc1-c1ccc2c(O)nncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.48
KIT P10721 4/20 0.48
MAPK9 P45984 2/20 0.48
MAPK10 P53779 1/20 0.48
TRPA1 O75762 1/20 0.48
LCK P06239 4/20 0.46
KDR P35968 4/20 0.46
JAK3 P52333 1/20 0.46
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
MCL1 Q07820 1/20 0.42
CYP3A4 P08684 3/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ABL1 P00519 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL2945976 0.84 MAPK14 (0.60) MAPK14KITMAPK9MAPK10TRPA1
SCHEMBL2955979 0.82 TRPA1 (0.48) MAPK14KITMAPK9MAPK10TRPA1
SCHEMBL1406241 0.82 ABL1 (0.43) MAPK14KITMAPK9MAPK10LCK
SCHEMBL14283137 0.80 ESR2 (0.46) BACE1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL394810 0.79 MAPK14 (0.56) MAPK14KITMAPK9MAPK10LCK
SCHEMBL398366 0.79 CYP11B1 (0.48) MAPK14KITMAPK9MAPK10LCK
SCHEMBL5255693 0.76 TRPA1 (0.57) MAPK14TRPA1LCKKDRJAK3
SCHEMBL2952639 0.76 MAPK14 (0.52) MAPK14KITMAPK9MAPK10LCK
SCHEMBL18791035 0.74 MCL1 (0.41) MAPK14TRPA1LCKKDRJAK3
SCHEMBL2945896 0.74 KIT (0.48) MAPK14KITMAPK9MAPK10LCK

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
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 EP disclosed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 EP disclosed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 US 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 293/4885KIT 1977/4885MAPK9 764/4885

“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.