SCHEMBL20185558

SCHEMBL20185558

COCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc2ncc(=O)n(-c3cccc(NC(=O)O)c3)c2n1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.73
▸ FLT3 P36888 4/20 0.73
▸ BLK P51451 2/20 0.73
▸ BTK Q06187 3/20 0.61
▸ JAK3 P52333 1/20 0.60

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
SCHEMBL30353469 0.92 EGFR (0.87) EGFRFLT3BLKBTKJAK3
SCHEMBL18294430 0.92 EGFR (0.87) EGFRFLT3BLKBTKJAK3
SCHEMBL20080150 0.91 EGFR (0.68) EGFRFLT3BLKBTKJAK3
SCHEMBL30353479 0.91 EGFR (0.69) EGFRFLT3BLKBTKJAK3
SCHEMBL29572794 0.91 EGFR (0.69) EGFRFLT3BLKBTKJAK3
SCHEMBL18294533 0.91 EGFR (0.69) EGFRFLT3BLKBTKJAK3
SCHEMBL30353476 0.88 FLT3 (0.71) EGFRFLT3BLKBTKJAK3
SCHEMBL18294536 0.88 FLT3 (0.71) EGFRFLT3BLKBTKJAK3
SCHEMBL18294440 0.86 EGFR (0.86) EGFRFLT3BLKBTKJAK3
SCHEMBL30353468 0.86 EGFR (0.86) EGFRFLT3BLKBTKJAK3

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-20180148454-A1 USE OF PTERIDINONE DERIVATIVE SERVING AS EGFR INHIBITOR Shanghai Yidian Pharmaceutical Technology Development Co., Ltd. (CN) 2018-05-31 — — 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-20180148454-A1 USE OF PTERIDINONE DERIVATIVE SERVING AS EGFR INHIBITOR EGFR, ERBB2, ERBB3 EGFR 1/4885FLT3 20/4885BLK 515/4885

“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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