Sugi Predict

Sugi Predict / Compounds / SCHEMBL8322373

SCHEMBL8322373

SCHEMBL8322373

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.34
▸ RPS6KB1 P23443 2/20 0.33
▸ EGFR P00533 11/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ PRNP P04156 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ERBB2 P04626 3/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32

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
SCHEMBL2995834 1.00 AURKA (0.34) AURKARPS6KB1EGFRALDH1A1MAPK10
SCHEMBL2986556 0.93 ITGAV (0.35) AURKARPS6KB1EGFRALDH1A1ERBB2
SCHEMBL8325231 0.93 ITGAV (0.35) AURKARPS6KB1EGFRALDH1A1ERBB2
SCHEMBL2986554 0.93 ITGAV (0.35) AURKARPS6KB1EGFRALDH1A1ERBB2
SCHEMBL3000504 0.89 ITGAV (0.34) AURKARPS6KB1EGFRERBB2HDAC3
SCHEMBL8325661 0.89 ITGAV (0.34) AURKARPS6KB1EGFRERBB2HDAC3
SCHEMBL3000500 0.89 ITGAV (0.34) AURKARPS6KB1EGFRERBB2HDAC3
SCHEMBL3001511 0.88 LMNA (0.36) EGFRALDH1A1MAPK10PRNPTSHR
SCHEMBL2995895 0.87 ITGAV (0.37) AURKARPS6KB1EGFRALDH1A1ERBB2
SCHEMBL2995897 0.87 ITGAV (0.37) AURKARPS6KB1EGFRALDH1A1ERBB2

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 AURKA 3397/4885RPS6KB1 1257/4885EGFR 2616/4885

“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.