SCHEMBL16693933

SCHEMBL16693933

C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(C(N)=O)cc4)nc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 20/20 1.00
▸ EGFR P00533 19/20 1.00
▸ BLK P51451 16/20 1.00
▸ BTK Q06187 3/20 0.77
▸ ITK Q08881 1/20 0.61

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
SCHEMBL16681301 0.91 EGFR (1.00) FLT3EGFRBLKBTKITK
SCHEMBL16681185 0.90 FLT3 (1.00) FLT3EGFRBLKBTKITK
SCHEMBL16680898 0.89 FLT3 (1.00) FLT3EGFRBLKBTKITK
SCHEMBL16680281 0.87 FLT3 (1.00) FLT3EGFRBLKBTKITK
SCHEMBL16680409 0.86 FLT3 (1.00) FLT3EGFRBLKBTK
SCHEMBL16680188 0.86 FLT3 (1.00) FLT3EGFRBLKBTK
SCHEMBL16680516 0.85 FLT3 (1.00) FLT3EGFRBLKBTK
SCHEMBL16680560 0.85 FLT3 (1.00) FLT3EGFRBLKBTK
SCHEMBL16680413 0.84 FLT3 (1.00) FLT3EGFRBLKBTK
SCHEMBL16680905 0.84 EGFR (1.00) FLT3EGFRBLKBTK

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-9670213-B2 Pteridine ketone derivative and applications thereof as EGFR, BLK, and FLT3 inhibitor EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-06-06 — — US disclosed
US-20150126508-A1 PTERIDINE KETONE DERIVATIVE AND APPLICATIONS THEREOF AS EGFR, BLK, AND FLT3 INHIBITOR Shanghai Yidian Pharmaceutical Technology Development Co., Ltd. (CN) 2015-05-07 — — 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-20150126508-A1 PTERIDINE KETONE DERIVATIVE AND APPLICATIONS THEREOF AS EGFR, BLK, AND FLT3 INHIBITOR FLT3, BLK, EGFR FLT3 1/4885EGFR 3/4885BLK 2/4885

“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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