SCHEMBL1053265

SCHEMBL1053265

O=C(c1cccc(OCc2ccc(C(F)(F)F)nc2)c1OCC1CC1)c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.41
CSF1R P07333 2/20 0.41
PDGFRB P09619 2/20 0.41
KIT P10721 2/20 0.41
PDGFRA P16234 2/20 0.41
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
AURKB Q96GD4 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL1050439 0.87 PAK1 (0.42) AAK1PAK1
SCHEMBL1053363 0.83 CYP2C9 (0.41) LCKCSF1RPDGFRBKITPDGFRA
SCHEMBL1050251 0.80 PAK1 (0.36) LCKCSF1RPDGFRBKITPDGFRA
SCHEMBL1053572 0.79 PAK1 (0.41) LCKCSF1RPDGFRBKITPDGFRA
SCHEMBL1050832 0.78 BRAF (0.51) LCKCSF1RPDGFRBKITPDGFRA
SCHEMBL1054118 0.77 MAP2K1 (0.41) CSF1RKITKDRPAK1BRAF
SCHEMBL1052298 0.73 FABP3 (0.40) TBXA2RCYP2C9P2RX7CYP3A4CYP2C19
SCHEMBL3853330 0.72 CYP3A4 (0.41) SLC6A4ADRA1AKCNH2CYP2C9CYP3A4
SCHEMBL412513 0.71 KDR (0.41) KDRPAK1BRAFMAP2K1
SCHEMBL1050339 0.69 JAK2 (0.37) SLC6A4ADRA1AKCNH2ACACBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP claimed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US claimed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO claimed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO claimed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 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-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LCK 109/4885CSF1R 2023/4885PDGFRB 1055/4885

“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.