SCHEMBL2954064

SCHEMBL2954064

CC[C@@H](C)Nc1nncc2cc(-c3c(C)ccc4c(NC)noc34)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 1.00
CYP3A4 P08684 8/20 0.64
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
KCNH2 Q12809 1/20 0.55
MAPK11 Q15759 1/20 0.55

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
SCHEMBL2944392 1.00 MAPK14 (1.00) MAPK14CYP3A4PDGFRBKITKCNH2
SCHEMBL2952397 0.91 MAPK14 (0.83) MAPK14CYP3A4PDGFRBKITKCNH2
SCHEMBL2953472 0.90 MAPK14 (1.00) MAPK14CYP3A4PDGFRBKITKCNH2
SCHEMBL2950283 0.83 MAPK14 (0.80) MAPK14CYP3A4PDGFRBKITKCNH2
SCHEMBL2953142 0.80 MAPK14 (1.00) MAPK14CYP3A4PDGFRBKITKCNH2
SCHEMBL2947400 0.80 MAPK14 (0.80) MAPK14CYP3A4PDGFRBKITKCNH2
SCHEMBL6013751 0.79 MAPK14 (0.79) MAPK14CYP3A4PDGFRBKITKCNH2
SCHEMBL2955471 0.78 MAPK14 (1.00) MAPK14CYP3A4PDGFRBKITKCNH2
SCHEMBL2954044 0.77 MAPK14 (0.78) MAPK14CYP3A4PDGFRBKITKCNH2
SCHEMBL2944546 0.74 MAPK14 (0.63) MAPK14CYP3A4PDGFRBKITKCNH2

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 3 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

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 2740/4885PDGFRB 1228/4885

“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.