SCHEMBL16680905

SCHEMBL16680905

C=CC(=O)Nc1ccc(-n2c(=O)cnc3cnc(Nc4ccccc4)nc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 1.00
▸ FLT3 P36888 18/20 1.00
▸ BLK P51451 14/20 1.00
▸ BTK Q06187 2/20 0.70
▸ MEN1 O00255 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ KMT2A Q03164 1/20 0.64

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
SCHEMBL16680469 0.91 FLT3 (1.00) EGFRFLT3BLKBTK
SCHEMBL16681301 0.90 EGFR (1.00) EGFRFLT3BLKBTK
SCHEMBL16681336 0.89 FLT3 (1.00) EGFRFLT3BLKBTKMEN1
SCHEMBL16680536 0.89 FLT3 (1.00) EGFRFLT3BLKBTKMEN1
SCHEMBL16680981 0.87 FLT3 (1.00) EGFRFLT3BLKBTK
SCHEMBL16680898 0.86 FLT3 (1.00) EGFRFLT3BLKBTK
SCHEMBL16680260 0.86 FLT3 (1.00) EGFRFLT3BLKBTK
SCHEMBL16681185 0.85 FLT3 (1.00) EGFRFLT3BLKBTK
SCHEMBL16680409 0.84 FLT3 (1.00) EGFRFLT3BLKBTK
SCHEMBL16681075 0.84 FLT3 (1.00) EGFRFLT3BLKBTKMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008511-B Pteridine ketone derivatives and its application as EGFR, BLK, FLT3 inhibitor 华东理工大学 2018-08-14 — — CN 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-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
CN-106008511-A Pteridinone derivatives and application of pteridinone derivatives as EGFR (epidermal growth factor receptor tyrosine kinase), BLK (B lymphocyte tyrosine kinase) and FLT3 (FMS-like tyrosine kinase 3) inhibitors 华东理工大学 2016-10-12 — — CN disclosed
CN-103930425-B Pteridinone derivatives and their use as EGFR, BLK, FLT3 inhibitors EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-27 — — CN 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-103833759-A Pteridinone derivatives as BLK and FLT3 inhibitors and applications thereof UNIV EAST CHINA SCIENCE & TECH 2014-06-04 — — CN disclosed
CN-103421010-A Pteridinone derivative as EGFR inhibitor and application thereof UNIV EAST CHINA SCIENCE & TECH 2013-12-04 — — 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 EGFR 3/4885FLT3 1/4885BLK 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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