SCHEMBL4338550

SCHEMBL4338550

CCN1CCN(CC(=O)Nc2cc(Oc3ccc(NC)c(N)c3)ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.53
LCK P06239 1/20 0.53
KDM4E B2RXH2 4/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
EGFR P00533 1/20 0.44
ALDH1A1 P00352 5/20 0.42
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
GCK P35557 1/20 0.40
FGFR1 P11362 1/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL13788545 0.92 MEN1 (0.45) BRAFLCKABL1BCRMKNK1
SCHEMBL13788616 0.91 MEN1 (0.46) BRAFLCKKDM4EALDH1A1KMT2A
SCHEMBL4328795 0.89 SMN1; SMN2 (0.47) BRAFLCKKDM4EALDH1A1WNT1
SCHEMBL13788627 0.87 GSK3B (0.46) BRAFLCKALDH1A1WNT1GSK3B
SCHEMBL13788548 0.86 BRAF (0.43) BRAFLCKABL1BCRMKNK1
SCHEMBL4331297 0.86 TP53 (0.53) BRAFLCKKDM4EABL1BCR
SCHEMBL13788552 0.85 MAPK14 (0.41) BRAFLCKALDH1A1WNT1GSK3B
SCHEMBL13788572 0.85 ALDH1A1 (0.41) BRAFLCKALDH1A1GCKFGFR1
SCHEMBL13788546 0.81 ALDH1A1 (0.48) ALDH1A1WNT1GSK3BDYRK1AKMT2A
SCHEMBL4341563 0.80 FGFR1 (0.43) BRAFGCKFGFR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 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 (3 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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF BRAF 1/4885LCK 279/4885KDM4E 2240/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF BRAF 1/4885LCK 279/4885KDM4E 2240/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF BRAF 1/4885LCK 279/4885KDM4E 2240/4885

“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.