SCHEMBL9909448

SCHEMBL9909448

N#Cc1ccc(C(=N)NCl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
CHEK1 O14757 2/20 0.35
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
AR P10275 1/20 0.34
PTPN1 P18031 1/20 0.33
EPHX2 P34913 1/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
LRRK2 Q5S007 1/20 0.32
GRM5 P41594 1/20 0.31
PDPK1 O15530 1/20 0.31
DYRK3 O43781 1/20 0.31
MAP4K4 O95819 1/20 0.31
RET P07949 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL9908944 0.77 UBE2T (0.45) KCNQ3KCNQ2SLC6A3KCNH2GRM5
SCHEMBL3868436 0.73 KCNQ3 (0.46) KCNQ3KCNQ2S1PR1S1PR3SLC6A3
SCHEMBL2515153 0.73 KCNQ3 (0.46) KCNQ3KCNQ2S1PR1S1PR3CHEK1
SCHEMBL65165 0.71 P4HA1 (0.55) KCNQ3KCNQ2CHEK1GRM5PDPK1
SCHEMBL31281693 0.71 P4HA1 (0.55) KCNQ3KCNQ2CHEK1GRM5PDPK1
SCHEMBL19580190 0.69 KCNQ3 (0.46) KCNQ3KCNQ2S1PR1S1PR3CHEK1
SCHEMBL11456044 0.69 KCNQ3 (0.39) KCNQ3KCNQ2S1PR1S1PR3CHEK1
SCHEMBL1584376 0.69 MAPT (0.49) KCNQ3KCNQ2S1PR1S1PR3SLC6A3
SCHEMBL1993840 0.69 GRM5 (0.58) KCNQ3KCNQ2GRM5MKNK2
SCHEMBL880697 0.69 MAPK1 (0.59) KCNQ3KCNQ2ARPTPN1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150601-B2 Blue-light-emitting iridium complex, iridium complex monomer, phosphorus polymer, and organic electroluminescence device using same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-10-06 US disclosed
US-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-06-07 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 (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-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME IPMK, INTS9, ITK KCNQ3 2163/4885KCNQ2 1897/4885S1PR1 4074/4885

“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.