SCHEMBL12123993

SCHEMBL12123993

CN(C)Cc1ccc(Nc2ncc3cc(/C=C/CN)ccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.47
▸ CAMK2D Q13557 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ IGF1R P08069 1/20 0.38
▸ CDK1 P06493 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ WEE1 P30291 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL13550147 0.89 BRAF (0.47) BRAFCAMK2DCSF1RIGF1RCDK1
SCHEMBL12123839 0.83 BRAF (0.46) BRAFCAMK2DCSF1RIGF1REGFR
SCHEMBL12124052 0.82 BRAF (0.45) BRAFCAMK2DCSF1RIGF1REGFR
SCHEMBL12120858 0.78 BRAF (0.53) BRAFCAMK2DCSF1RIGF1RCDK1
SCHEMBL12671538 0.76 BRAF (0.50) BRAFCAMK2DCSF1RIGF1RCDK1
SCHEMBL13534038 0.72 SLC2A1 (0.38) BRAFCAMK2DCSF1REGFRITK
SCHEMBL16497192 0.72 SLC2A1 (0.38) BRAFCAMK2DCSF1REGFRITK
SCHEMBL1845366 0.72 PDPK1 (0.47) BRAFCAMK2DCSF1R
SCHEMBL1845368 0.72 PDPK1 (0.47) BRAFCAMK2DCSF1R
SCHEMBL13534307 0.71 PDPK1 (0.39) BRAFCAMK2DCSF1R

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 6 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-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
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 861/4885CAMK2D 1297/4885CSF1R 1006/4885
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 BRAF 310/4885CAMK2D 777/4885CSF1R 1994/4885

“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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