SCHEMBL16602145

SCHEMBL16602145

Cc1cnc(-c2cccc(-c3ccccc3)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
NFKB1 P19838 2/20 0.54
RAB9A P51151 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HDAC4 P56524 2/20 0.50
GP6 Q9HCN6 1/20 0.46
COMT P21964 1/20 0.44
KMO O15229 1/20 0.42
HPGDS O60760 3/20 0.42
PSMB5 P28074 1/20 0.42
FLT3 P36888 1/20 0.41
KDR P35968 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10091200 0.85 NPC1 (0.67) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL436106 0.85 NPC1 (0.65) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL16727393 0.83 RAB9A (0.55) NPC1RAB9ASMN1; SMN2HDAC4
SCHEMBL10128364 0.82 RAB9A (0.57) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL17055377 0.81 NPC1 (0.67) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL10128407 0.79 RAB9A (0.48) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL19940390 0.79 NPC1 (0.48) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9697154 0.79 CLK4 (0.53) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2616114 0.78 IDO1 (0.47) NPC1RAB9ASMN1; SMN2HDAC4
SCHEMBL12441012 0.78 ALDH1A1 (0.48) NPC1NFKB1RAB9ANFKB2RELA

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-10400001-B2 Heteroleptic iridium complex, and light-emitting material and organic light-emitting element using compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-09-03 US disclosed
US-20180066001-A1 HETEROLEPTIC IRIDIUM COMPLEX, AND LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT USING COMPOUND FURUYA METAL CO., LTD. (JP) 2018-03-08 US disclosed
US-20180066001-A1 HETEROLEPTIC IRIDIUM COMPLEX, AND LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT USING COMPOUND FURUYA METAL CO., LTD. (JP) 2018-03-08 US disclosed
US-8993754-B2 Iridium complex and light emitting material formed from same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-03-31 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-10400001-B2 Heteroleptic iridium complex, and light-emitting material and organic light-emitting element using compound INTS9, RPL19, RPL29 NPC1 2580/4885NFKB1 2348/4885RAB9A 1508/4885
US-20180066001-A1 HETEROLEPTIC IRIDIUM COMPLEX, AND LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT USING COMPOUND INTS9, RPL19, RPL29 NPC1 2580/4885NFKB1 2348/4885RAB9A 1508/4885

“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.