SCHEMBL12912481

SCHEMBL12912481

c1ccc2cc(-c3nc4ccccc4n3-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 8/20 0.47
▸ ESR2 Q92731 4/20 0.45
▸ ESR1 P03372 3/20 0.45
▸ GRIA1 P42261 1/20 0.44
▸ CACNG8 Q8WXS5 1/20 0.44
▸ CACNG2 Q9Y698 1/20 0.44
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ MET P08581 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
SCHEMBL12912523 0.93 ESR2 (0.52) MAPK10ESR2ESR1GRIA1CACNG8
SCHEMBL9976957 0.92 ESR1 (0.53) MAPK10ESR2ESR1GRIA1CACNG8
SCHEMBL14506134 0.92 ESR1 (0.44) MAPK10ESR2ESR1GRIA1CACNG8
SCHEMBL19818255 0.91 ESR1 (0.48) MAPK10ESR2ESR1GRIA1CACNG8
SCHEMBL9976944 0.91 ESR1 (0.56) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9976949 0.89 ESR1 (0.55) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9976946 0.89 ESR1 (0.55) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL10041759 0.89 ESR1 (0.51) MAPK10ESR2ESR1GRIA1CACNG8
SCHEMBL9976947 0.89 ESR1 (0.49) MAPK10ESR2ESR1GRIA1CACNG8
SCHEMBL12912486 0.88 ESR1 (0.48) ESR2ESR1GRIA1CACNG8CACNG2

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 MAPK10 1986/4885ESR2 1585/4885ESR1 563/4885

“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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