SCHEMBL1362776

SCHEMBL1362776

COc1cc(Cn2ccc3cccnc32)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
PTK2 Q05397 1/20 0.41
SLC22A12 Q96S37 2/20 0.41
LPO P22079 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PTGER3 P43115 1/20 0.39
DAO P14920 1/20 0.39
WDR5 P61964 2/20 0.39
BMPR1B O00238 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38

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
SCHEMBL3537897 0.89 LPO (0.55) LPOMAPTTHRB
SCHEMBL28251110 0.87 LMNA (0.47) MTNR1AMAPTTHRBBMPR1BACVR1B
Propionic Acid SCHEMBL1100914 0.81 PTGER4 (0.51) MTNR1ALPOMAPTTHRBPTGER3
SCHEMBL38652062 0.77 KMT2A (0.49) MTNR1ADAO
SCHEMBL324010 0.77 KMT2A (0.49) MTNR1ADAO
SCHEMBL30828413 0.76 ATM (0.57) MTNR1AMAPT
SCHEMBL22766349 0.76 WDR5 (0.69) WDR5
SCHEMBL23535632 0.75 MTNR1A (0.41) MTNR1AMAPTDAO
SCHEMBL15142922 0.75 PKM (0.51) MTNR1ADAO
SCHEMBL5322845 0.74 CSF1R (0.55)

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-1696920-B1 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2014-10-29 EP disclosed
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US disclosed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US disclosed
EP-1696920-A4 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2009-09-02 EP disclosed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US disclosed
US-20070066641-A1 Compounds and methods for development of RET modulators PLEXXIKON, INC. 2007-03-22 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
EP-1696920-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2006-09-06 EP disclosed
WO-2005062795-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2005-07-14 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-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 MTNR1A 1480/4885PTK2 1108/4885SLC22A12 2153/4885
US-20070066641-A1 Compounds and methods for development of RET modulators RET, FGFR1, FGFR3 MTNR1A 1982/4885PTK2 251/4885SLC22A12 2113/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 MTNR1A 985/4885PTK2 1255/4885SLC22A12 1705/4885

“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.