SCHEMBL14489952

SCHEMBL14489952

C#Cc1cccc(Nc2ncnc3cc(OC)c(O[C@H]4CC[C@H](N(C)C(=O)C(F)(F)F)CC4)cc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.63
▸ GAK O14976 2/20 0.63
▸ FBP1 P09467 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ HDAC3 O15379 7/20 0.56
▸ HDAC4 P56524 7/20 0.56
▸ HDAC1 Q13547 7/20 0.56
▸ HDAC7 Q8WUI4 7/20 0.56
▸ HDAC2 Q92769 7/20 0.56
▸ HDAC10 Q969S8 7/20 0.56
▸ HDAC11 Q96DB2 7/20 0.56
▸ HDAC8 Q9BY41 7/20 0.56
▸ HDAC6 Q9UBN7 7/20 0.56
▸ HDAC9 Q9UKV0 7/20 0.56
▸ HDAC5 Q9UQL6 7/20 0.56
▸ ERBB2 P04626 5/20 0.56
▸ RIPK2 O43353 1/20 0.55
▸ BUB1 O43683 1/20 0.55
▸ STK10 O94804 1/20 0.55

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
SCHEMBL14489943 1.00 EGFR (0.63) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489940 0.92 EGFR (0.66) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489934 0.92 EGFR (0.66) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL12536577 0.90 EGFR (0.64) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489929 0.89 EGFR (0.62) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489949 0.89 EGFR (0.62) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489966 0.87 EGFR (0.64) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489960 0.87 EGFR (0.64) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14490029 0.86 EGFR (0.61) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14490028 0.86 EGFR (0.61) EGFRGAKFBP1ALDH1A1MAPT

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 EGFR 349/4885GAK 824/4885FBP1 1088/4885

“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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