SCHEMBL12768652

SCHEMBL12768652

COC(=O)NC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.46
NEK1 Q96PY6 1/20 0.44
AAK1 Q2M2I8 7/20 0.43
KIT P10721 1/20 0.41
AXL P30530 1/20 0.39
PLCG1 P19174 1/20 0.38
DYRK1A Q13627 3/20 0.38
CLK1 P49759 2/20 0.38
IGF1R P08069 2/20 0.38
NTRK1 P04629 1/20 0.37
PIK3CA P42336 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
SCHEMBL414898 0.94 NEK1 (0.47) RIPK1NEK1AAK1KITAXL
SCHEMBL858392 0.88 AAK1 (0.46) RIPK1NEK1AAK1KITPLCG1
SCHEMBL856312 0.87 RIPK1 (0.45) RIPK1NEK1AAK1
SCHEMBL10260876 0.86 RIPK1 (0.45) RIPK1NEK1AAK1PLCG1DYRK1A
SCHEMBL859227 0.85 GSK3B (0.49) RIPK1NEK1AAK1PLCG1DYRK1A
SCHEMBL10260007 0.85 RIPK1 (0.44) RIPK1NEK1AAK1
SCHEMBL417056 0.84 AAK1 (0.43) RIPK1NEK1AAK1AXLDYRK1A
SCHEMBL10261619 0.84 RIPK1 (0.49) RIPK1NEK1AAK1PLCG1DYRK1A
SCHEMBL857629 0.83 DYRK1A (0.47) RIPK1NEK1AAK1KITAXL
SCHEMBL855708 0.81 PIK3CA (0.43) RIPK1NEK1AAK1KITDYRK1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 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-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 RIPK1 507/4885NEK1 223/4885AAK1 335/4885

“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.