SCHEMBL21215181

SCHEMBL21215181

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-c6cccnc6)cc5c5cc(-c6ccccn6)ccc54)cc(-n4c5ccc(-c6cccnc6)cc5c5cc(-c6ccccn6)ccc54)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.47
▸ CYP2A6 P11509 2/20 0.46
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMO O15229 1/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL30107718 0.91 HTR1A (0.40) GRM5NPC1TP53PKMTSHR
SCHEMBL30107747 0.91 CYP11B1 (0.46) CYP2A6TP53TSHRSMN1; SMN2KMO
SCHEMBL30107846 0.88 CYP11B1 (0.43) CYP2A6TP53TSHRSMN1; SMN2CYP19A1
SCHEMBL30107775 0.88 NPY5R (0.41) GRM5NPC1TP53PKMTSHR
SCHEMBL30107826 0.87 DHODH (0.44) GRM5RAB9AKMOCYP19A1CYP11B1
SCHEMBL30107757 0.85 DHODH (0.43) GRM5CYP2A6TP53TSHRSMN1; SMN2
SCHEMBL17227946 0.85 GRM5 (0.46) GRM5NPC1TP53PKMTSHR
SCHEMBL30107833 0.84 KMT2A (0.41) GRM5NPC1TP53PKMTSHR
SCHEMBL23085288 0.84 GRM5 (0.43) GRM5CYP2A6NPC1TP53PKM
SCHEMBL30107765 0.83 DHODH (0.43) GRM5TSHRCYP19A1CYP11B1CYP11B2

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-11542260-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-01-03 — — US disclosed
US-20190233412-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-08-01 — — 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-11542260-B2 Composition of matter for use in organic light-emitting diodes CRY2, NDUFV3, SLCO1B3 GRM5 434/4885CYP2A6 1252/4885NPC1 754/4885
US-20190233412-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, NDUFV3, SLCO1B3 GRM5 434/4885CYP2A6 1252/4885NPC1 754/4885

“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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