SCHEMBL21167234

SCHEMBL21167234

c1ccc(-c2cnc(-c3ccccc3)c3nsnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 8/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ TDO2 P48775 1/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GFER P55789 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
SCHEMBL30783303 0.86 APP (0.35) ADORA1ADORA2ACYP11B1CKS1BSKP1
SCHEMBL721818 0.78 TDO2 (0.39) ADORA1ADORA2ATDO2NPC1RAB9A
SCHEMBL10339628 0.76 MAPT (0.44) KMT2AALOX15MEN1NPC1RAB9A
SCHEMBL714013 0.74 ALDH1A1 (0.41) TDO2KMT2AMEN1NPC1RAB9A
SCHEMBL4934230 0.72 DCUN1D1 (0.40) TDO2KMT2AMEN1NPC1RAB9A
SCHEMBL21167228 0.70 CDK5 (0.42) ADORA2ATDO2KMT2AALOX15MEN1
SCHEMBL7213630 0.70 ALOX15 (0.48) ADORA1ADORA2ACKS1BSKP1SKP2
SCHEMBL1821593 0.70 ADORA1 (0.44) ADORA1ADORA2ACKS1BSKP1SKP2
SCHEMBL10300877 0.70 ADORA2A (0.50) ADORA1ADORA2ACYP11B1CYP11B2CKS1B
SCHEMBL23055925 0.68 MAPK1 (0.44) TDO2KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117910-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and organic light-emitting apparatus including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-14 — — US disclosed
US-20190218240-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ORGANIC LIGHT-EMITTING APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-18 — — 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-11117910-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and organic light-emitting apparatus including the organic light-emitting device OCIAD1, LEF1, OXA1L ADORA1 3748/4885ADORA2A 4732/4885CYP11B1 467/4885
US-20190218240-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ORGANIC LIGHT-EMITTING APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE OCIAD1, LEF1, OXA1L ADORA1 3748/4885ADORA2A 4732/4885CYP11B1 467/4885

“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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