SCHEMBL2944136

SCHEMBL2944136

COc1ncccc1-c1ccc2c(-c3cccnc3OC)nncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.48
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
SCN9A Q15858 7/20 0.44
DHODH Q02127 1/20 0.43
METAP2 P50579 2/20 0.43
KIT P10721 2/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
DHFR P00374 1/20 0.40
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NAAA Q02083 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
LRRK2 Q5S007 1/20 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
SCHEMBL2954403 0.83 MAPK14 (0.54) LOXL2DHODHKITMAPK14MAPK9
SCHEMBL2949613 0.80 MAPK14 (0.46) ALOX5APFEN1SCN9AMAPK14NAAA
SCHEMBL600332 0.79 SCN9A (0.44) SCN9AMAPK14KDR
SCHEMBL2946855 0.78 MAPK14 (0.77) KITMAPK14MAPK9MAPK10LCK
SCHEMBL2945976 0.72 MAPK14 (0.60) ALOX5APFEN1KITMAPK14MAPK9
SCHEMBL29702978 0.69 LOXL2 (0.51) LOXL2ALOX5APFEN1SCN9ADHODH
SCHEMBL29501222 0.69 FEN1 (0.62) LOXL2ALOX5APFEN1DHODHNAAA
SCHEMBL15674328 0.69 FEN1 (0.62) LOXL2ALOX5APFEN1DHODHNAAA
SCHEMBL22241827 0.69 ALOX5AP (0.52) LOXL2ALOX5APFEN1DHODHMETAP2
SCHEMBL1509530 0.69 ALOX5AP (0.55) LOXL2ALOX5APFEN1SCN9ADHODH

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
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
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 LOXL2 4334/4885ALOX5AP 1577/4885FEN1 4509/4885

“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.