SCHEMBL9908944

SCHEMBL9908944

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 2/20 0.45
PRSS1 P07477 6/20 0.41
F2 P00734 3/20 0.41
ST14 Q9Y5Y6 3/20 0.41
PLAU P00749 2/20 0.41
TMPRSS2 O15393 2/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
GRM5 P41594 1/20 0.39
PRMT1 Q99873 3/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PRMT5 O14744 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
PTP4A3 O75365 1/20 0.39
SLC22A3 O75751 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
S100B P04271 1/20 0.39

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
SCHEMBL1993840 0.81 GRM5 (0.58) KCNQ3KCNQ2GRM5
SCHEMBL2515153 0.77 KCNQ3 (0.46) KCNQ3KCNQ2GRM5SLC6A3KCNH2
SCHEMBL9909448 0.77 KCNQ3 (0.40) KCNQ3KCNQ2GRM5SLC6A3KCNH2
SCHEMBL31281693 0.74 P4HA1 (0.55) KCNQ3KCNQ2GRM5
SCHEMBL65165 0.74 P4HA1 (0.55) KCNQ3KCNQ2GRM5
SCHEMBL3868436 0.73 KCNQ3 (0.46) KCNQ3KCNQ2GRM5SLC6A3KCNH2
SCHEMBL1584376 0.73 MAPT (0.49) KCNQ3KCNQ2GRM5SLC6A3KCNH2
SCHEMBL19580190 0.73 KCNQ3 (0.46) KCNQ3KCNQ2GRM5SLC6A3KCNH2
SCHEMBL11456044 0.73 KCNQ3 (0.39) KCNQ3KCNQ2GRM5SLC6A3KCNH2
SCHEMBL28344110 0.73 P4HA1 (0.52) UBE2TPRSS1F2ST14PLAU

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 UBE2T 3180/4885PRSS1 4325/4885F2 1282/4885

“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.