SCHEMBL4331297

SCHEMBL4331297

CCN1CCN(CC(=O)Nc2cc(Oc3ccc(NC)c([N+](=O)[O-])c3)ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
BRAF P15056 2/20 0.51
LCK P06239 1/20 0.51
ALDH1A1 P00352 4/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
KMT2A Q03164 1/20 0.44
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL13788588 0.93 ALDH1A1 (0.52) TP53BRAFLCKALDH1A1RECQL
SCHEMBL4337466 0.89 ALDH1A1 (0.65) BRAFLCKALDH1A1RECQLKDM4E
SCHEMBL13788595 0.88 ALDH1A1 (0.58) ALDH1A1RECQLKDM4ELMNAKMT2A
SCHEMBL13788553 0.87 ALDH1A1 (0.53) TP53BRAFLCKALDH1A1RECQL
SCHEMBL13788549 0.86 ALDH1A1 (0.52) ALDH1A1RECQLKDM4ELMNAKMT2A
SCHEMBL4338550 0.86 BRAF (0.53) BRAFLCKALDH1A1KDM4ELMNA
SCHEMBL13788625 0.86 ALDH1A1 (0.52) ALDH1A1RECQLKDM4ELMNAKMT2A
SCHEMBL4326186 0.85 MAPT (0.49) ALDH1A1KMT2AMAPK1PKMRAB9A
SCHEMBL4320354 0.83 SMN1; SMN2 (0.44) ALDH1A1KMT2AMAPK1PKMRAB9A
SCHEMBL13788614 0.82 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMAPK1PKM

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 TP53 211/4885BRAF 1/4885LCK 279/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF TP53 211/4885BRAF 1/4885LCK 279/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF TP53 211/4885BRAF 1/4885LCK 279/4885

“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.