SCHEMBL17420237

SCHEMBL17420237

CCCCCCNC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 11/20 0.54
▸ EGFR P00533 10/20 0.54
▸ ABL1 P00519 7/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ LRRK2 Q5S007 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ KIT P10721 1/20 0.51
▸ DDR1 Q08345 1/20 0.50
▸ BCR P11274 1/20 0.50

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
SCHEMBL15859803 0.90 BRAF (0.59) BRAFEGFRABL1FGFR1CYP2C9
SCHEMBL15859861 0.90 BRAF (0.60) BRAFEGFRABL1FGFR1CYP2C9
SCHEMBL31060809 0.89 BRAF (0.59) BRAFEGFRABL1FGFR1CYP2C9
SCHEMBL15859828 0.89 BRAF (0.59) BRAFEGFRABL1FGFR1CYP2C9
SCHEMBL17311263 0.88 BRAF (0.57) BRAFEGFRABL1FGFR1CYP2C9
SCHEMBL15859829 0.88 BRAF (0.57) BRAFEGFRABL1FGFR1CYP2C9
SCHEMBL15859903 0.88 EGFR (0.60) BRAFEGFRABL1FGFR1CYP2C9
SCHEMBL17311270 0.88 EGFR (0.55) BRAFEGFRABL1FGFR1CYP2C9
SCHEMBL17311287 0.84 BRAF (0.54) BRAFEGFRABL1FGFR1CYP2C9
SCHEMBL15859862 0.83 ABL1 (0.55) BRAFEGFRABL1FGFR1CYP2C9

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-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 — — US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 — — 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-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 BRAF 32/4885EGFR 738/4885ABL1 128/4885

“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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