SCHEMBL12912441

SCHEMBL12912441

Cc1nc2ccccc2n1-c1ccc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ TSHR P16473 1/20 0.42
▸ HRH3 Q9Y5N1 5/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ CACNG8 Q8WXS5 1/20 0.38
▸ CACNG2 Q9Y698 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37

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
SCHEMBL9976942 0.91 MAPK1 (0.55) MAPK1HTTTSHRHRH3ESR1
SCHEMBL9611842 0.88 MAPK1 (0.56) MAPK1HTTTSHRHRH3ESR1
SCHEMBL12912446 0.87 MEN1 (0.41) MAPK1HTTTSHRHRH3ESR1
SCHEMBL12912435 0.87 ESR1 (0.55) MAPK1HTTESR1ESR2ALDH1A1
SCHEMBL25112775 0.86 MAPK1 (0.49) MAPK1HTTTSHRESR1ESR2
SCHEMBL12912484 0.85 CNR2 (0.41) MAPK1HTTESR1ESR2ALDH1A1
SCHEMBL12912429 0.85 CRBN (0.43) MAPK1HTTTSHRHRH3ESR1
SCHEMBL9611797 0.84 MAPK1 (0.57) MAPK1HTTTSHRHRH3ESR1
SCHEMBL9611731 0.83 MAPK1 (0.54) MAPK1HTTTSHRESR1ESR2
SCHEMBL2604832 0.81 MAPK1 (0.55) MAPK1HTTTSHRESR1ESR2

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 MAPK1 1771/4885HTT 1316/4885TSHR 4199/4885

“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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