SCHEMBL2621635

SCHEMBL2621635

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ BRD3 Q15059 1/20 0.43
▸ BRDT Q58F21 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ POLB P06746 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ LMNA P02545 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
SCHEMBL19723111 0.81 BRD4 (0.43) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL2621687 0.80 BRD4 (0.47) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL1137531 0.74 BRD4 (0.70) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4765762 0.74 BRD4 (0.45) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL6297412 0.74 BRD4 (0.42) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL12183661 0.74 KMT2A (0.35) BRD4BRD2BRD3BRDTSMN1; SMN2
Hydrochloric Acid SCHEMBL11454825 0.73 BRD4 (0.68) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4990289 0.73 HDAC3 (0.58) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL13550126 0.73 BRD4 (0.44) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL17477692 0.72 BRD4 (0.51) BRD4BRD2BRD3BRDTSMN1; SMN2

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 11 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
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 777/4885BRD2 2789/4885BRD3 2925/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 BRD4 266/4885BRD2 1636/4885BRD3 1318/4885

“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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