SCHEMBL3461688

SCHEMBL3461688

N#Cc1nc(-c2cccc(C(=O)NCc3ccccc3)c2)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.57
LDHB P07195 1/20 0.57
CFD P00746 1/20 0.54
JAK2 O60674 1/20 0.53
MAP4K4 O95819 1/20 0.53
CHEK2 O96017 1/20 0.53
PRKCG P05129 1/20 0.53
CDK1 P06493 1/20 0.53
FES P07332 1/20 0.53
RET P07949 1/20 0.53
ROS1 P08922 1/20 0.53
FER P16591 1/20 0.53
FLT1 P17948 1/20 0.53
AXL P30530 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
FLT3 P36888 1/20 0.53
MAPK9 P45984 1/20 0.53
IRAK1 P51617 1/20 0.53
LIMK1 P53667 1/20 0.53

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
SCHEMBL3459712 0.84 LDHA (0.63) LDHALDHBCFDJAK2MAP4K4
SCHEMBL3461827 0.83 LDHA (0.59) LDHALDHBCFDJAK2MAP4K4
SCHEMBL3461625 0.83 ATR (0.62) LDHALDHBCFDJAK2MAP4K4
SCHEMBL3463003 0.82 LDHA (0.58) LDHALDHBCFDJAK2MAP4K4
SCHEMBL3459849 0.81 PIK3CD (0.60) LDHALDHBCFDJAK2MAP4K4
SCHEMBL3459866 0.81 EPHX2 (0.44) LDHALDHBROCK1ATRPRKDC
SCHEMBL3459704 0.80 ATR (0.57) LDHALDHBCFDJAK2MAP4K4
SCHEMBL3461820 0.80 LDHA (0.56) LDHALDHBCFDJAK2MAP4K4
SCHEMBL3460825 0.80 ATR (0.58) LDHALDHBCFDJAK2MAP4K4
SCHEMBL3460293 0.80 LDHA (0.55) LDHALDHBCFDJAK2MAP4K4

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-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 LDHA 2158/4885LDHB 2891/4885CFD 4879/4885

“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.