SCHEMBL14489916

SCHEMBL14489916

C#Cc1cccc(Nc2ncnc3cc(OCC)c(OC4CCN(C(=O)OCC)CC4)cc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.68
▸ EGFR P00533 19/20 0.65
▸ ERBB2 P04626 4/20 0.56
▸ ERBB3 P21860 2/20 0.56
▸ ERBB4 Q15303 2/20 0.56
▸ GAK O14976 2/20 0.56
▸ PLK4 O00444 1/20 0.56
▸ CIT O14578 1/20 0.56
▸ AURKA O14965 1/20 0.56
▸ EPHB6 O15197 1/20 0.56
▸ SLC22A1 O15245 1/20 0.56
▸ DAPK3 O43293 1/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ BUB1 O43683 1/20 0.56
▸ KDM1A O60341 1/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ RPS6KA4 O75676 1/20 0.56
▸ STK17B O94768 1/20 0.56
▸ STK10 O94804 1/20 0.56
▸ SLCO2B1 O94956 1/20 0.56

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
SCHEMBL14489918 0.95 FBP1 (0.68) FBP1EGFRERBB2ERBB3ERBB4
SCHEMBL14489872 0.95 EGFR (0.66) FBP1EGFRERBB2GAKALDH1A1
Hydrochloric Acid SCHEMBL5432960 0.94 EGFR (0.65) FBP1EGFRERBB2GAKALDH1A1
SCHEMBL14489921 0.93 EGFR (0.67) FBP1EGFRERBB2ERBB3ERBB4
SCHEMBL12536524 0.92 FBP1 (0.67) FBP1EGFRERBB2ERBB3ERBB4
SCHEMBL14489919 0.90 FBP1 (0.65) FBP1EGFRERBB2ERBB3ERBB4
SCHEMBL14489912 0.88 EGFR (0.72) FBP1EGFRERBB2GAKALDH1A1
SCHEMBL14489926 0.88 EGFR (0.57) FBP1EGFRERBB2ABL1PDGFRB
SCHEMBL14489923 0.88 EGFR (0.70) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL14490008 0.87 FBP1 (0.69) FBP1EGFRERBB2ERBB3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — WO disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 — — US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 — — 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-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 FBP1 1088/4885EGFR 349/4885ERBB2 83/4885

“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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