SCHEMBL16680413

SCHEMBL16680413

C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 17/20 1.00
▸ EGFR P00533 16/20 1.00
▸ BTK Q06187 3/20 1.00
▸ BLK P51451 14/20 0.86
▸ JAK3 P52333 2/20 0.77

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
SCHEMBL16680409 0.93 FLT3 (1.00) FLT3EGFRBTKBLKJAK3
SCHEMBL16680188 0.92 FLT3 (1.00) FLT3EGFRBTKBLKJAK3
SCHEMBL16680260 0.92 FLT3 (1.00) FLT3EGFRBTKBLKJAK3
SCHEMBL16680560 0.91 FLT3 (1.00) FLT3EGFRBTKBLKJAK3
SCHEMBL18294438 0.90 EGFR (0.82) FLT3EGFRBTKBLKJAK3
SCHEMBL15752405 0.90 EGFR (0.81) FLT3EGFRBTKBLKJAK3
SCHEMBL28583057 0.89 EGFR (0.80) FLT3EGFRBTKBLKJAK3
SCHEMBL18294439 0.89 EGFR (0.80) FLT3EGFRBTKBLKJAK3
SCHEMBL30192805 0.88 EGFR (1.00) FLT3EGFRBTKBLKJAK3
SCHEMBL16680603 0.88 EGFR (1.00) FLT3EGFRBTKBLKJAK3

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 5 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-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
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
CN-103930425-A Pteridinone derivatives and their use as EGFR, BLK, FLT3 inhibitors UNIV EAST CHINA SCIENCE & TECH 2014-07-16 — — CN 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 3/4885BTK 14/4885

“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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