SCHEMBL12912484

SCHEMBL12912484

CC(C)(C)c1nc2ccccc2n1-c1ccc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.41
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ESR1 P03372 3/20 0.34
▸ ESR2 Q92731 3/20 0.34
▸ GRIA1 P42261 1/20 0.34
▸ CACNG8 Q8WXS5 1/20 0.34
▸ CACNG2 Q9Y698 1/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ BMX P51813 1/20 0.32
▸ BCL2 P10415 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL12912449 0.92 CNR2 (0.40) CNR2MAPTGAASMN1; SMN2MAPK1
SCHEMBL12912441 0.85 MAPK1 (0.54) MAPTSMN1; SMN2MAPK1HTTESR1
SCHEMBL12912431 0.82 CNR2 (0.40) CNR2MAPTGAASMN1; SMN2MAPK1
SCHEMBL12912429 0.82 CRBN (0.43) CNR2MAPTSMN1; SMN2MAPK1HTT
SCHEMBL12912446 0.82 MEN1 (0.41) CNR2MAPTSMN1; SMN2MAPK1HTT
SCHEMBL12912435 0.81 ESR1 (0.55) MAPTGAASMN1; SMN2MAPK1HTT
SCHEMBL12912477 0.78 CNR2 (0.41) CNR2MAPTGAASMN1; SMN2MAPK1
SCHEMBL20286689 0.77 MAPK1 (0.50) CNR2GAASMN1; SMN2MAPK1HTT
SCHEMBL9976942 0.76 MAPK1 (0.55) SMN1; SMN2MAPK1HTTESR1ESR2
SCHEMBL12912523 0.75 ESR2 (0.52) MAPTMAPK1HTTESR1ESR2

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-8945724-B2 Nitrogen-containing heterocyclic derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-03 — — US disclosed
US-8945724-B2 Nitrogen-containing heterocyclic derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-02-03 — — US disclosed
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — US disclosed
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — 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-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NUDC, TYR, NUDT1 CNR2 2918/4885MAPT 1953/4885GAA 3760/4885

“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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