Sugi Predict

Sugi Predict / Compounds / SCHEMBL19639587

SCHEMBL19639587

SCHEMBL19639587

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C34CC(C#N)(C3)C4)c3ccccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.48
▸ MKNK2 Q9HBH9 6/20 0.48
▸ MKNK1 Q9BUB5 4/20 0.48
▸ JAK2 O60674 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ MLNR O43193 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ DRD1 P21728 1/20 0.42

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
SCHEMBL30885811 1.00 EGFR (0.48) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL19639590 0.91 EGFR (0.50) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL19639626 0.89 EGFR (0.51) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL19639659 0.87 EGFR (0.56) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL29555980 0.85 MKNK1 (0.65) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL14660648 0.85 MKNK1 (0.65) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL32671769 0.85 MKNK1 (0.65) EGFRMKNK2MKNK1JAK2ROS1
Hydrochloric Acid SCHEMBL31218386 0.84 MKNK1 (0.64) EGFRMKNK2MKNK1JAK2ROS1
SCHEMBL29589168 0.82 MKNK2 (0.63) EGFRMKNK2MKNK1
SCHEMBL28363233 0.82 MKNK2 (0.63) EGFRMKNK2MKNK1

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-12049460-B2 EGFR inhibitor compounds RECURIUM IP HOLDINGS, LLC (US) 2024-07-30 — — US disclosed
EP-3464275-B1 EGFR INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 — — EP disclosed
US-20210395230-A1 EGFR INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC (US) 2021-12-23 — — US disclosed
US-20200181120-A1 EGFR INHIBITOR COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2020-06-11 — — US disclosed
US-20170342055-A1 EGFR INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC 2017-11-30 — — 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 (4 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-20200181120-A1 EGFR INHIBITOR COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885MKNK2 357/4885MKNK1 362/4885
US-20170342055-A1 EGFR INHIBITOR COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885MKNK2 357/4885MKNK1 362/4885
US-12049460-B2 EGFR inhibitor compounds EGFR, ERBB2, ERBB3 EGFR 1/4885MKNK2 528/4885MKNK1 495/4885
US-20210395230-A1 EGFR INHIBITOR COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885MKNK2 357/4885MKNK1 362/4885

“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.