SCHEMBL2954124

SCHEMBL2954124

C[C@H]1COCCN1c1nncc2cc(B(O)O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.56
CYP3A4 P08684 6/20 0.56
KIT P10721 2/20 0.54
PDGFRB P09619 1/20 0.54
KCNH2 Q12809 1/20 0.54
MAPK11 Q15759 1/20 0.54
KDR P35968 1/20 0.53
MAPK9 P45984 1/20 0.53
ATM Q13315 1/20 0.42
ATR Q13535 1/20 0.42
MTOR P42345 8/20 0.42

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
SCHEMBL2954129 1.00 MAPK14 (0.56) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2953253 0.83 MAPK14 (0.59) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2953248 0.83 MAPK14 (0.59) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2953095 0.73 MAPK14 (0.78) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2948669 0.73 MAPK14 (0.78) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2949832 0.72 MAPK14 (1.00) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2944350 0.72 MAPK14 (1.00) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2945978 0.71 MAPK14 (1.00) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2955984 0.70 MAPK14 (1.00) MAPK14CYP3A4KITPDGFRBKCNH2
SCHEMBL2953268 0.70 MAPK14 (1.00) MAPK14CYP3A4KITPDGFRBKCNH2

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 293/4885CYP3A4 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.