SCHEMBL12759486

SCHEMBL12759486

Cc1cccc(C)c1-c1cnc(-c2ccc(C(F)(F)F)cc2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
SRC P12931 2/20 0.46
HPGDS O60760 1/20 0.42
MAP4K4 O95819 1/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK3 O43781 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 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
SCHEMBL12759890 0.79 CYP1A2 (0.38) TP53GAAMAPTPOLBSRC
SCHEMBL8989237 0.77 KIF11 (0.47) TP53GAAMAPTPOLBDYRK1A
SCHEMBL3534328 0.74 TP53 (0.45) TP53GAAMAPTPOLBDYRK1A
SCHEMBL16433917 0.74 KIF11 (0.52) MAPTTNKSTNKS2PARP2SLC11A2
SCHEMBL30843065 0.71 ALOX5AP (0.47) TP53GAAMAPTPOLB
SCHEMBL15167073 0.70 MEN1 (0.46) TP53GAAMAPTPOLBMAP4K4
SCHEMBL18979181 0.69 HSD11B1 (0.50) TP53GAAMAPTPOLBDYRK1A
SCHEMBL14076998 0.68 HSD11B1 (0.49) DYRK1BHSD11B1GRM5
SCHEMBL15168293 0.67 SMN1; SMN2 (0.44) TP53GAAMAPTPOLBDYRK1A
SCHEMBL13197415 0.67 KIF11 (0.49) TP53GAAMAPTPOLBDYRK1A

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
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 US 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 (2 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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 TP53 2607/4885GAA 2474/4885MAPT 1946/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 TP53 2607/4885GAA 2474/4885MAPT 1946/4885

“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.