SCHEMBL17811398

SCHEMBL17811398

C[Si](C)(C)c1cnc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.44
AXL P30530 2/20 0.38
CDK8 P49336 1/20 0.38
TNIK Q9UKE5 1/20 0.38
ACACA Q13085 2/20 0.37
AAK1 Q2M2I8 1/20 0.35
SGK1 O00141 1/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
LDHA P00338 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
METAP2 P50579 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL17637120 0.85 LDHA (0.45) DYRK1AIDO1TDO2LDHAGSK3A
SCHEMBL17790244 0.85 DYRK1A (0.40) DYRK1AAXLCDK8TNIKACACA
SCHEMBL17811396 0.83 LDHA (0.39) DYRK1ALDHANPC1RAB9AALOX5AP
SCHEMBL18537362 0.79 GABRA1 (0.44) DYRK1AIDO1NPC1RAB9AMETAP2
SCHEMBL17811400 0.78 DYRK1A (0.43) DYRK1AAXLCDK8TNIKACACA
SCHEMBL17811395 0.76 SGK1 (0.36) DYRK1ASGK1ALOX5APFEN1
SCHEMBL17548681 0.74 PIM1 (0.36) NPC1RAB9A
SCHEMBL16405289 0.74 NPC1 (0.46) DYRK1AIDO1TDO2LDHAGSK3A
SCHEMBL19172246 0.74 HSD17B1 (0.51) AXLCDK8TNIKLDHAGSK3A
SCHEMBL17811393 0.73 HSD17B1 (0.37) DYRK1AIDO1TDO2LDHAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220123236-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2022-04-21 US disclosed
US-20160164012-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-09 US disclosed
US-20160164012-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-09 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-20160164012-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, L3MBTL1 DYRK1A 4512/4885AXL 2285/4885CDK8 2610/4885
US-20220123236-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, L3MBTL1 DYRK1A 4512/4885AXL 2285/4885CDK8 2610/4885

“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.