SCHEMBL3463016

SCHEMBL3463016

CCOc1ccc(-c2cnc(N)c(C(N)=O)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
ATR Q13535 6/20 0.51
PRKDC P78527 4/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
AHR P35869 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.49
PARP10 Q53GL7 1/20 0.49
ACVR1 Q04771 2/20 0.48
ATM Q13315 1/20 0.47
CHRNA7 P36544 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
NEK2 P51955 1/20 0.44
ALPL P05186 1/20 0.44
SCN2A Q99250 1/20 0.44

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
SCHEMBL3461301 0.86 ATR (0.57) ATRPRKDCACVR1ATM
SCHEMBL3461128 0.85 ATR (0.55) MAPTATRPRKDCNEK2
SCHEMBL3461744 0.82 PARP10 (0.53) ATRPRKDCPARP10ATM
SCHEMBL18895999 0.81 ATR (0.64) ATRPRKDCACVR1ATM
SCHEMBL28049139 0.79 ATR (0.64) ATRPRKDCACVR1ATM
SCHEMBL3462610 0.79 ATR (0.63) ATRPRKDCATM
SCHEMBL24248259 0.78 ATR (0.67) ATRPRKDCATM
SCHEMBL3460647 0.78 ADK (0.52) ATRPRKDCACVR1ATM
SCHEMBL24993561 0.76 ALDH1A1 (0.55) MAPTKDM4ENPC1ATRPRKDC
SCHEMBL1758392 0.76 PARP10 (0.66) MAPTKDM4ENPC1ALDH1A1POLB

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-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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 (1 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 MAPT 3126/4885KDM4E 1532/4885NPC1 4361/4885

“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.