SCHEMBL25619018

SCHEMBL25619018

CC(C)(C)c1ccc(-c2ncnc3c2sc2c4ccccc4ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.39
▸ TNKS2 Q9H2K2 2/20 0.39
▸ CCR4 P51679 1/20 0.37
▸ TNF P01375 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ LIMK1 P53667 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A1 P04798 3/20 0.33
▸ CYP1B1 Q16678 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MAP3K19 Q56UN5 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33

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
SCHEMBL25630064 0.78 TNKS (0.37) TNKSTNKS2CCR4TNFNOD1
SCHEMBL17343158 0.70 CYP3A4 (0.47) TNKSTNKS2CCR4KDM4EALDH1A1
SCHEMBL1906154 0.68 KDM4E (0.51) TNKSTNKS2CCR4KDM4EALDH1A1
SCHEMBL29986864 0.68 ADORA2A (0.66) TNKSTNKS2TNFNOD1KDM4E
SCHEMBL26224291 0.68 ADORA2A (0.66) TNKSTNKS2TNFNOD1KDM4E
SCHEMBL15125358 0.68 KDM4E (0.41) TNKSTNKS2KDM4EALDH1A1KMT2A
SCHEMBL19024600 0.68 LIMK1 (0.72) LIMK1CDK5CDK5R1
SCHEMBL23185176 0.68 LIMK1 (0.52) LIMK1CYP1A2CDK5CDK5R1
SCHEMBL18852988 0.68 CYP1A1 (0.43) KDM4EALDH1A1KMT2ACYP1A1CYP1B1
SCHEMBL18853030 0.68 CYP1A1 (0.43) KDM4EALDH1A1KMT2ACYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200209-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 — — 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-20230200209-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME CRY1, ZFX, PPOX TNKS 4769/4885TNKS2 4797/4885CCR4 3392/4885

“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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