SCHEMBL2621693

SCHEMBL2621693

C#CCNC(=O)c1ccnn([C@H](C)c2ccc(F)cc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ PDE10A Q9Y233 3/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.34
▸ PDPK1 O15530 2/20 0.34
▸ P2RX7 Q99572 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MET P08581 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 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
SCHEMBL2621692 1.00 SCD (0.38) SCDKDM5BKCNK3P2RX3PDE10A
SCHEMBL12285043 1.00 SCD (0.38) SCDKDM5BKCNK3P2RX3PDE10A
SCHEMBL12183771 0.89 SCD (0.34) SCDKCNK3PDE10AEGLN1
SCHEMBL12183766 0.85 KCNK3 (0.35) SCDKCNK3
SCHEMBL2621695 0.83 PDPK1 (0.46) SCDKDM5BKCNK3PDE10APDPK1
SCHEMBL2621694 0.83 PDPK1 (0.46) SCDKDM5BKCNK3PDE10APDPK1
SCHEMBL12285714 0.83 PDPK1 (0.46) SCDKDM5BKCNK3PDE10APDPK1
SCHEMBL2621649 0.80 KDM5A (0.43) SCDKDM5BKCNK3PDE10AEGLN1
SCHEMBL12285807 0.80 KDM5A (0.43) SCDKDM5BKCNK3PDE10AEGLN1
SCHEMBL2621648 0.80 KDM5A (0.43) SCDKDM5BKCNK3PDE10AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
US-8895581-B2 1H-imidazo[4,5-c]quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 — — US disclosed
US-8895581-B2 1H-imidazo[4,5-c]quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 — — US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 — — US disclosed
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — 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 (2 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-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 SCD 3867/4885KDM5B 827/4885KCNK3 2219/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 SCD 4831/4885KDM5B 553/4885KCNK3 1928/4885

“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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