SCHEMBL2621687

SCHEMBL2621687

C#CCNC(=O)c1cccn(Cc2cc[nH]n2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.47
▸ KMT2A Q03164 1/20 0.44
▸ BRD2 P25440 1/20 0.44
▸ BRD3 Q15059 1/20 0.44
▸ BRDT Q58F21 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PDPK1 O15530 2/20 0.38

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
SCHEMBL12183661 0.85 KMT2A (0.35) BRD4KMT2ABRD2BRD3BRDT
SCHEMBL19723111 0.80 BRD4 (0.43) BRD4KMT2ABRD2BRD3BRDT
SCHEMBL2621635 0.80 BRD4 (0.43) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL2621674 0.79 BRD4 (0.74) BRD4KMT2ABRD2BRD3BRDT
SCHEMBL2621675 0.77 BRD4 (0.60) BRD4KMT2ABRD2BRD3BRDT
SCHEMBL12123815 0.76 BRD4 (0.56) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL2621711 0.74 BRD4 (0.54) BRD4KMT2ABRD2BRD3BRDT
SCHEMBL2621689 0.74 PDPK1 (0.56) BRD4KMT2ABRD2BRD3BRDT
SCHEMBL2621688 0.74 PDPK1 (0.56) BRD4KMT2ABRD2BRD3BRDT
SCHEMBL2622009 0.73 PDPK1 (0.74) PDPK1

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 10 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
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — 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 (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 BRD4 777/4885KMT2A 1925/4885BRD2 2789/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 BRD4 266/4885KMT2A 1350/4885BRD2 1636/4885

“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.

Send feedback