SCHEMBL12120858

SCHEMBL12120858

CN(C)Cc1ccc(Nc2ncc3cc(Br)ccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.53
▸ IGF1R P08069 1/20 0.41
▸ CAMK2D Q13557 1/20 0.41
▸ CSF1R P07333 1/20 0.39
▸ WEE1 P30291 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ STK17A Q9UEE5 1/20 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
SCHEMBL17529301 0.84 BRAF (0.49) BRAFNPC1CDK1KDRSTK17A
SCHEMBL12671422 0.82 BRAF (0.41) BRAFCAMK2DWEE1KCNH2
SCHEMBL12671538 0.82 BRAF (0.50) BRAFIGF1RCAMK2DCSF1RWEE1
SCHEMBL1866931 0.81 MAP3K5 (0.50) BRAFCAMK2DNPC1
SCHEMBL20711031 0.80 CDK1 (0.44) BRAFCDK1KDR
SCHEMBL12671175 0.79 BRAF (0.49) BRAF
SCHEMBL13225904 0.79 BRAF (0.45) BRAFCDK1KDR
SCHEMBL4738027 0.78 IKBKB (0.55) BRAFCDK1
SCHEMBL12123993 0.78 BRAF (0.47) BRAFIGF1RCAMK2DCSF1RWEE1
SCHEMBL13550147 0.78 BRAF (0.47) BRAFIGF1RCAMK2DCSF1RWEE1

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-2321299-B1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-24 — — EP disclosed
US-8637549-B2 Pyridons as PDK1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 — — US disclosed
US-8637549-B2 Pyridons as PDK1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 — — US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — WO disclosed
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — 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-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH BRAF 861/4885IGF1R 1896/4885CAMK2D 1297/4885
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 BRAF 310/4885IGF1R 160/4885CAMK2D 777/4885

“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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