Sugi Predict

Sugi Predict / Compounds / SCHEMBL6768865

SCHEMBL6768865

SCHEMBL6768865

Fc1ccccc1COc1ccc(Nc2ncnc3ccc(-c4nnc(C(F)(F)F)o4)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 10/20 0.46
▸ EGFR P00533 10/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ ERBB4 Q15303 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ TSHR P16473 2/20 0.41

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
Hydrochloric Acid SCHEMBL6764013 0.99 EGFR (0.46) ERBB2EGFRCLK4CHEK2ROS1
SCHEMBL6768366 0.89 EGFR (0.61) ERBB2EGFRCLK4CHEK2ROS1
SCHEMBL6767372 0.88 EGFR (0.49) ERBB2EGFRCLK4CHEK2ROS1
Hydrochloric Acid SCHEMBL6768063 0.87 EGFR (0.48) ERBB2EGFRCLK4CHEK2ROS1
SCHEMBL6766849 0.86 EGFR (0.50) ERBB2EGFRCLK4CHEK2ROS1
SCHEMBL6764413 0.86 EGFR (0.57) ERBB2EGFRPDGFRB
Hydrochloric Acid SCHEMBL6768794 0.85 EGFR (0.49) ERBB2EGFRCLK4CHEK2ROS1
Hydrochloric Acid SCHEMBL6764193 0.85 EGFR (0.57) ERBB2EGFRPDGFRB
SCHEMBL6767185 0.80 ERBB2 (0.50) ERBB2EGFRERBB4RAF1CYP1A2
SCHEMBL6764094 0.77 EGFR (0.52) ERBB2EGFRERBB4AURKBRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 — — US claimed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 — — EP claimed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 — — WO claimed
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 — — US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 — — US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 — — US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 — — EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 — — WO 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK ERBB2 35/4885EGFR 354/4885CLK4 266/4885

“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.