SCHEMBL1259043

SCHEMBL1259043

Nc1ccc(Oc2ccc(N(Cc3ccccc3)C(=O)O)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 6/20 0.41
▸ LPAR1 Q92633 4/20 0.40
▸ LPAR5 Q9H1C0 4/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ PDK1 Q15118 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ TPO P07202 1/20 0.38
▸ EPX P11678 1/20 0.38
▸ LPO P22079 1/20 0.38
▸ MET P08581 2/20 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
SCHEMBL1260519 0.84 RNF4 (0.51) CDK8PDK1
SCHEMBL1258225 0.84 ALDH1A1 (0.40) LPAR1LPAR5PDK1
SCHEMBL1258227 0.84 ALDH1A1 (0.40) LPAR1LPAR5PDK1
SCHEMBL1258201 0.83 CDK8 (0.47) CDK8
SCHEMBL1260140 0.80 MET (0.38) LPAR1LPAR5MAPK14PDK1MET
SCHEMBL1259639 0.77 SLC22A12 (0.47) —
SCHEMBL5157570 0.75 MAPK14 (0.43) MAPK14PDK1MET
SCHEMBL12892591 0.74 TP53 (0.50) CDK8MET
SCHEMBL1924545 0.72 LTB4R2 (0.51) PDK1
SCHEMBL15015162 0.72 P2RX3 (0.44) LPAR1LPAR5MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 CDK8 155/4885LPAR1 2347/4885LPAR5 2176/4885

“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.

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