SCHEMBL1978636

SCHEMBL1978636

CCOC(=O)c1ccc2cc(C(=O)OCC)n(CC3(CN)CCOCC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
PIK3CA P42336 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL14904450 0.94 F10 (0.41) F10MEN1KMT2ANOD2NOD1
SCHEMBL1979196 0.93 F10 (0.45) F10MEN1KMT2ANOD2NOD1
SCHEMBL1980625 0.91 F10 (0.44) F10MEN1KMT2ANOD2NOD1
SCHEMBL14904442 0.87 F10 (0.44) F10MEN1KMT2ANOD2NOD1
SCHEMBL14904445 0.85 F10 (0.42) F10MEN1KMT2ANOD2NOD1
SCHEMBL1983809 0.84 ALDH1A1 (0.37) F10MEN1KMT2ANOD2NOD1
SCHEMBL14904451 0.83 MEN1 (0.39) F10MEN1KMT2ANOD2NOD1
SCHEMBL12598230 0.82 ATM (0.38) F10MEN1KMT2ANOD2NOD1
SCHEMBL12598732 0.77 KDM4E (0.51) F10MEN1KMT2ANOD2NOD1
SCHEMBL1977977 0.76 MEN1 (0.39) F10MEN1KMT2ANOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 F10 4514/4885MEN1 3774/4885KMT2A 3498/4885

“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.