Sugi Predict

Sugi Predict / Compounds / SCHEMBL8325231

SCHEMBL8325231

SCHEMBL8325231

COC[C@H](Nc1ncnc2cc(C(=O)N3CC=CC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ ITGB6 P18564 1/20 0.35
▸ EGFR P00533 7/20 0.34
▸ ERBB2 P04626 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC3 O15379 8/20 0.33
▸ HDAC4 P56524 8/20 0.33
▸ HDAC1 Q13547 8/20 0.33
▸ HDAC7 Q8WUI4 8/20 0.33
▸ HDAC2 Q92769 8/20 0.33
▸ HDAC10 Q969S8 8/20 0.33
▸ HDAC11 Q96DB2 8/20 0.33
▸ HDAC8 Q9BY41 8/20 0.33
▸ HDAC6 Q9UBN7 8/20 0.33
▸ HDAC9 Q9UKV0 8/20 0.33
▸ HDAC5 Q9UQL6 8/20 0.33
▸ KDR P35968 6/20 0.33
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL2986556 1.00 ITGAV (0.35) ITGAVITGA5ITGB6EGFRERBB2
SCHEMBL2986554 1.00 ITGAV (0.35) ITGAVITGA5ITGB6EGFRERBB2
SCHEMBL2995897 0.94 ITGAV (0.37) ITGAVITGA5ITGB6EGFRERBB2
SCHEMBL2995895 0.94 ITGAV (0.37) ITGAVITGA5ITGB6EGFRERBB2
SCHEMBL2999070 0.93 OPRM1 (0.36) ITGAVITGA5ITGB6EGFRERBB2
SCHEMBL2999074 0.93 OPRM1 (0.36) ITGAVITGA5ITGB6EGFRERBB2
SCHEMBL13772356 0.93 OPRM1 (0.36) ITGAVITGA5ITGB6EGFRERBB2
SCHEMBL2995834 0.93 AURKA (0.34) EGFRERBB2ALDH1A1LMNAHDAC3
SCHEMBL8322373 0.93 AURKA (0.34) EGFRERBB2ALDH1A1LMNAHDAC3
SCHEMBL3000351 0.93 HDAC3 (0.39) EGFRERBB2HDAC3HDAC4HDAC1

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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 — — US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 — — US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 — — US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 — — US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 — — 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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ITGAV 1286/4885ITGA5 769/4885ITGB6 430/4885

“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.