SCHEMBL12759447

SCHEMBL12759447

Cn1cc(C(C)(C)c2cn(C)c(-c3ccccc3)n2)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 3/20 0.47
NR1H2 P55055 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PTGS2 P35354 2/20 0.39
PDE10A Q9Y233 3/20 0.38
CYP1A2 P05177 1/20 0.38
HSD11B1 P28845 1/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL7480252 0.85 PTGS2 (0.54) NR1H3NR1H2NPC1RAB9APDE3B
SCHEMBL10099635 0.78 NR1H3 (0.47) NR1H3NR1H2NPC1RAB9APDE3B
SCHEMBL724249 0.76 PDE3B (0.55) NR1H3NR1H2NPC1RAB9APDE3B
SCHEMBL27217302 0.74 BRD4 (0.47) NR1H3NR1H2NPC1RAB9APDE3B
SCHEMBL5376023 0.74 NPC1 (0.44) NR1H3NR1H2NPC1RAB9APDE3B
SCHEMBL27517990 0.74 NR1H2 (0.44) NR1H3NR1H2NPC1RAB9APDE3B
SCHEMBL28069470 0.74 NR1H3 (0.44) NR1H3NR1H2NPC1RAB9APDE3B
SCHEMBL25147202 0.72 MC4R (0.42) NR1H3NR1H2NPC1RAB9APDE3B
SCHEMBL5370284 0.72 PDE10A (0.43) NR1H3NR1H2NPC1RAB9APDE3B
SCHEMBL5365640 0.72 CKS1B (0.43) NR1H3NR1H2NPC1RAB9APDE3B

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-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

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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 NR1H3 2917/4885NR1H2 3381/4885NPC1 2788/4885

“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.