SCHEMBL2944204

SCHEMBL2944204

Cc1cc(C(=O)O)sc1-c1ccc2c(N3CCOCC3)nncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.54
KIT P10721 4/20 0.54
KDR P35968 3/20 0.54
MAPK9 P45984 2/20 0.54
LCK P06239 1/20 0.54
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
CYP3A4 P08684 4/20 0.40
HSD17B10 Q99714 3/20 0.40
PDGFRB P09619 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK11 Q15759 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2953540 0.88 MAPK14 (0.51) MAPK14KITKDRMAPK9LCK
SCHEMBL2944221 0.86 MAPK14 (0.69) MAPK14KITKDRMAPK9LCK
SCHEMBL15988255 0.81 MAPK14 (0.49) MAPK14KITKDRMAPK9LCK
SCHEMBL2945892 0.79 MAPK14 (0.78) MAPK14KITKDRMAPK9LCK
SCHEMBL5256847 0.76 MAPK14 (0.72) MAPK14KITKDRMAPK9LCK
SCHEMBL2952099 0.74 MAPK14 (0.74) MAPK14KITKDRMAPK9LCK
SCHEMBL2954097 0.73 MAPK14 (0.72) MAPK14KITKDRMAPK9LCK
SCHEMBL2951911 0.73 MAPK14 (0.62) MAPK14KITKDRMAPK9LCK
SCHEMBL2944127 0.73 MAPK14 (0.80) MAPK14KITKDRMAPK9LCK
SCHEMBL2954539 0.73 MAPK14 (0.72) MAPK14KITKDRMAPK9LCK

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 8 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
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 1977/4885KDR 683/4885

“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.