SCHEMBL19874812

SCHEMBL19874812

CC(C)(C)C(=O)Oc1cc2nc[nH]c(=O)c2cc1OC(=O)C(C)(C)C.CC(C)(C)C(=O)Oc1cc2ncnc(Cl)c2cc1OC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.41
▸ PARP1 P09874 8/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ CHEK1 O14757 2/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ IP6K1 Q92551 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ TEK Q02763 2/20 0.33
▸ EPHB4 P54760 1/20 0.33

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
SCHEMBL16295085 0.89 SLC2A1 (0.47) PARP1ALDH1A1SLC2A1CHEK1PIM1
SCHEMBL16294645 0.88 ENPP1 (0.50) ENPP1ALDH1A1KDR
SCHEMBL17967511 0.84 SRC (0.49) PARP1ALDH1A1SLC2A1CHEK1PIM1
SCHEMBL17967514 0.83 ENPP1 (0.59) ENPP1SRCKDR
SCHEMBL16295087 0.79 ENPP1 (0.44) ENPP1ALDH1A1KDR
SCHEMBL16294230 0.78 ENPP1 (0.54) ENPP1KDR
SCHEMBL1998529 0.75 SLC2A1 (0.54) PARP1ALDH1A1SLC2A1CHEK1PIM1
SCHEMBL18013041 0.73 PDE10A (0.38) ALDH1A1FLT3MKNK1KDR
SCHEMBL1999978 0.73 ENPP1 (0.54) ENPP1ALDH1A1MAPTKDR
SCHEMBL17967513 0.73 ENPP1 (0.41) ENPP1KDR

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-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 — — 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-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS EGFR, ERBB2, ERBB4 ENPP1 1422/4885PARP1 1966/4885ALDH1A1 1364/4885

“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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