SCHEMBL2946004

SCHEMBL2946004

CC(=O)N1CCN(c2nncc3cc(-c4cc(C(N)=O)ccc4C)ccc23)[C@@H](C)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.62
CYP3A4 P08684 5/20 0.62
KIT P10721 9/20 0.56
KDR P35968 7/20 0.56
MAPK9 P45984 5/20 0.56
LCK P06239 4/20 0.49
SMO Q99835 2/20 0.46
MAPK10 P53779 1/20 0.43
PDGFRB P09619 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK11 Q15759 1/20 0.41
ABL1 P00519 1/20 0.41
LYN P07948 1/20 0.39

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
SCHEMBL2945421 0.88 MAPK14 (0.74) MAPK14CYP3A4KITKDRMAPK9
SCHEMBL2952507 0.85 MAPK14 (0.60) MAPK14CYP3A4KITKDRMAPK9
SCHEMBL2953095 0.83 MAPK14 (0.78) MAPK14CYP3A4KITKDRMAPK9
SCHEMBL2951893 0.83 MAPK14 (0.57) MAPK14CYP3A4KITKDRMAPK9
SCHEMBL2955977 0.83 MAPK14 (0.57) MAPK14CYP3A4KITKDRMAPK9
SCHEMBL2948669 0.83 MAPK14 (0.78) MAPK14CYP3A4KITKDRMAPK9
SCHEMBL2949546 0.83 MAPK14 (0.60) MAPK14CYP3A4KITKDRMAPK9
SCHEMBL2955949 0.83 MAPK14 (0.60) MAPK14CYP3A4KITKDRMAPK9
SCHEMBL2952020 0.82 MAPK14 (0.53) MAPK14CYP3A4KITKDRMAPK9
SCHEMBL2948217 0.82 MAPK14 (0.56) MAPK14CYP3A4KITKDRMAPK9

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 293/4885CYP3A4 2740/4885KIT 1977/4885

“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.