SCHEMBL2621675

SCHEMBL2621675

C#CCNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.60
▸ CNR1 P21554 3/20 0.59
▸ CNR2 P34972 3/20 0.59
▸ BRD2 P25440 1/20 0.56
▸ BRD3 Q15059 1/20 0.56
▸ BRDT Q58F21 1/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ HTT P42858 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL2621674 0.90 BRD4 (0.74) BRD4CNR1CNR2BRD2BRD3
SCHEMBL2621677 0.89 PDPK1 (0.58) —
SCHEMBL2621676 0.89 MAPT (0.57) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL2621711 0.87 BRD4 (0.54) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL30647250 0.83 BRD4 (0.80) BRD4CNR1CNR2BRD2BRD3
SCHEMBL2621688 0.82 PDPK1 (0.56) BRD4CNR1CNR2BRD2BRD3
SCHEMBL2621689 0.82 PDPK1 (0.56) BRD4CNR1CNR2BRD2BRD3
SCHEMBL12123815 0.81 BRD4 (0.56) BRD4CNR1CNR2BRD2BRD3
SCHEMBL4817512 0.78 CNR1 (0.59) BRD4CNR1CNR2BRD2BRD3
SCHEMBL2621620 0.77 CNR1 (0.60) BRD4CNR1CNR2BRD2BRD3

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-2011144622-A1 1H - IMIDAZO [4, 5 - C] QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — 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 777/4885CNR1 184/4885CNR2 541/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 BRD4 266/4885CNR1 96/4885CNR2 297/4885

“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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