SCHEMBL25138218

SCHEMBL25138218

CN1c2ncccc2N(I)C1I

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TNKS2 Q9H2K2 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
SCHEMBL25138217 0.86 ADORA3 (0.36) ADORA3ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL23765624 0.83 MEN1 (0.31) LMNASMN1; SMN2
SCHEMBL23059121 0.82 ADORA3 (0.36) ADORA3ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL23059124 0.75 KDM4E (0.39) ADORA3ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL22147810 0.72 KDM4E (0.38) LMNA
SCHEMBL26275270 0.72 KDM4E (0.47) ADORA3ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL32662296 0.72 KDM4E (0.47) ADORA3ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL16722857 0.72 KDM4E (0.47) ADORA3ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL16709181 0.68 ADORA3 (0.36) ADORA3ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL16709180 0.68 KDM4E (0.39) ADORA3ADORA2AADORA1LMNASMN1; SMN2

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-20230118772-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-20 — — 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-20230118772-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, LIG1, AP1M1 ADORA3 4650/4885ADORA2A 4631/4885ADORA1 4401/4885

“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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