SCHEMBL19121105

SCHEMBL19121105

C=C/C=C(\C=C/C)Nc1ncnc2ccc(C(=O)C#CC)cc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.42
▸ FYN P06241 7/20 0.40
▸ SRC P12931 7/20 0.40
▸ ERBB2 P04626 6/20 0.40
▸ ERBB4 Q15303 2/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ VCP P55072 1/20 0.38
▸ BTK Q06187 2/20 0.38
▸ BLK P51451 1/20 0.37
▸ BMX P51813 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL19120970 0.91 EGFR (0.43) EGFRFYNSRCERBB2ERBB4
SCHEMBL19125635 0.86 EGFR (0.35) EGFRFYNSRCERBB2ERBB4
SCHEMBL18387506 0.83 EGFR (0.46) EGFRFYNSRCERBB2
SCHEMBL19120555 0.76 EGFR (0.38) EGFRERBB2ERBB4ABCG2
SCHEMBL19121686 0.73 FYN (0.35) EGFRFYNSRCERBB2ERBB4
SCHEMBL12225352 0.73 CLK4 (0.60) EGFRFYNSRCERBB2ERBB4
SCHEMBL20614884 0.71 SRC (0.41) EGFRSRCABCG2JAK3
SCHEMBL20614661 0.71 SRC (0.41) EGFRSRCABCG2JAK3
SCHEMBL24938199 0.70 EGFR (0.52) EGFR
SCHEMBL19121096 0.67 EGFR (0.42) EGFRERBB2

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-9951051-B2 Process for producing alkynylketone derivative SHIONOGI & CO., LTD. (JP) 2018-04-24 — — US disclosed
US-20170197943-A1 PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-13 — — 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-20170197943-A1 PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE PDK4, PDK3, PDK2 EGFR 650/4885FYN 963/4885SRC 1507/4885

“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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