SCHEMBL1979481

SCHEMBL1979481

CCOC(=O)c1ccc2cc(C(=O)OCC)n(CCC#N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
F10 P00742 2/20 0.45
NOD2 Q9HC29 2/20 0.45
NOD1 Q9Y239 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
PABPC1 P11940 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL1983207 0.88 MEN1 (0.49) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL28099443 0.85 KDM4E (0.65) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL12598732 0.84 KDM4E (0.51) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL28111591 0.79 KDM4E (0.63) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL1981603 0.77 NOD2 (0.46) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL5621752 0.77 NOD2 (0.53) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL3079776 0.76 MEN1 (0.47) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL3079780 0.76 MEN1 (0.47) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL1979480 0.76 NOD2 (0.45) SMN1; SMN2KDM4ECRHBPCRHR2MEN1
SCHEMBL17368516 0.76 NOD2 (0.52) SMN1; SMN2KDM4ECRHBPCRHR2MEN1

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 8 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-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
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

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 SMN1; SMN2 1941/4885KDM4E 2778/4885CRHBP 1018/4885

“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.