SCHEMBL17754243

SCHEMBL17754243

CC(C)Cc1cc(-c2ccccc2)ncc1-c1ccc([Si](C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ SGK1 O00141 1/20 0.36
▸ CAMKK2 Q96RR4 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ IDO1 P14902 3/20 0.34
▸ TDO2 P48775 3/20 0.34
▸ LDHA P00338 1/20 0.34
▸ NPC1 O15118 6/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ ACHE P22303 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ STAT1 P42224 1/20 0.32

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
SCHEMBL19336177 0.83 ADORA3 (0.39) ADORA3ADORA2AADORA2BADORA1SGK1
SCHEMBL17637115 0.79 ADORA1 (0.38) ADORA3ADORA2AADORA2BADORA1SGK1
SCHEMBL18729489 0.78 LDHA (0.41) ADORA3ADORA2AADORA2BADORA1SGK1
SCHEMBL17754242 0.77 LDHA (0.53) DYRK1AIDO1TDO2LDHANPC1
SCHEMBL18561121 0.76 ADORA3 (0.38) ADORA3ADORA2AADORA2BADORA1SGK1
SCHEMBL18730284 0.76 LDHA (0.46) ADORA3ADORA2AADORA2BADORA1SGK1
SCHEMBL18730295 0.75 LDHA (0.42) ADORA3ADORA2AADORA2BADORA1SGK1
SCHEMBL23562222 0.74 ADORA3 (0.40) ADORA3ADORA2AADORA2BADORA1SGK1
SCHEMBL22857694 0.74 ADORA3 (0.40) ADORA3ADORA2AADORA2BADORA1SGK1
SCHEMBL2188040 0.74 LDHA (0.46) ADORA3ADORA2AADORA1DYRK1AIDO1

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-9758719-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-09-12 — — US disclosed
US-9758719-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-09-12 — — US disclosed
US-20160141526-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-05-19 — — US disclosed
US-20160141526-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-05-19 — — 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-20160141526-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 ADORA3 4658/4885ADORA2A 4749/4885ADORA2B 4771/4885

“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.

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