SCHEMBL4103153

SCHEMBL4103153

FC(F)(F)c1n[nH]c(-c2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
BTK Q06187 1/20 0.49
NPY5R Q15761 3/20 0.47
F2 P00734 1/20 0.46
F12 P00748 1/20 0.46
RAB9A P51151 1/20 0.46
ALPL P05186 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2A6 P11509 1/20 0.44
METAP2 P50579 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LDHA P00338 1/20 0.43
EPHX2 P34913 1/20 0.43
DGAT1 O75907 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42

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
SCHEMBL13153061 0.81 NR1H2 (0.55) SMN1; SMN2RAB9AALPLCYP1A2ALDH1A1
SCHEMBL11598851 0.76 SMN1; SMN2 (0.87) SMN1; SMN2BTKF2F12RAB9A
SCHEMBL5787498 0.75 ALDH1A1 (0.65) SMN1; SMN2BTKF2F12ALPL
SCHEMBL1233176 0.75 SMN1; SMN2 (0.58) SMN1; SMN2BTKNPY5RF2F12
SCHEMBL2629350 0.75 SMN1; SMN2 (0.58) SMN1; SMN2BTKNPY5RF2F12
SCHEMBL29624456 0.74 GRK6 (0.55) SMN1; SMN2RAB9ACYP1A2CYP3A4ALDH1A1
SCHEMBL2251043 0.73 SMN1; SMN2 (0.87) SMN1; SMN2BTKF2F12RAB9A
SCHEMBL15452340 0.72 SMN1; SMN2 (0.73) SMN1; SMN2BTKF2F12RAB9A
SCHEMBL17280142 0.72 SMN1; SMN2 (0.73) SMN1; SMN2BTKF2F12RAB9A
SCHEMBL15375204 0.72 KDM4E (0.32) RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557988-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2013-10-15 US disclosed
US-20130005975-A1 EMISSIVE TRANSITION-METAL COMPLEXES WITH BOTH CARBON-PHOSPHORUS ANCILLARY AND CHROMOPHORIC CHELATES, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2013-01-03 US disclosed
US-8288543-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-16 US disclosed
US-20090209756-A1 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2009-08-20 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-20130005975-A1 EMISSIVE TRANSITION-METAL COMPLEXES WITH BOTH CARBON-PHOSPHORUS ANCILLARY AND CHROMOPHORIC CHELATES, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF ORC3, IK, NCL SMN1; SMN2 4065/4885BTK 2575/4885NPY5R 3759/4885
US-20090209756-A1 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof ORC3, EML4, NCL SMN1; SMN2 3845/4885BTK 2217/4885NPY5R 3749/4885

“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.