SCHEMBL12912439

SCHEMBL12912439

CCc1nc2ccccc2n1-c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ CACNG8 Q8WXS5 1/20 0.37
▸ CACNG2 Q9Y698 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 2/20 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
SCHEMBL12912446 0.92 MEN1 (0.41) PDE10ACYP1A2MAPTMEN1KMT2A
SCHEMBL25112973 0.90 PDE10A (0.40) PDE10ACYP1A2MAPTMEN1KMT2A
SCHEMBL25112777 0.88 PDE10A (0.40) PDE10ACYP1A2MAPTMEN1KMT2A
SCHEMBL19768200 0.88 PDE10A (0.37) PDE10ACYP1A2MAPTMEN1KMT2A
SCHEMBL9976942 0.87 MAPK1 (0.55) PDE10ACYP1A2KDM4EALDH1A1MAPK1
SCHEMBL25112784 0.87 PDE10A (0.41) PDE10ACYP1A2MAPTMEN1KMT2A
SCHEMBL9611848 0.86 KDM4E (0.42) PDE10ACYP1A2MAPTMEN1KMT2A
SCHEMBL12912523 0.85 ESR2 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL25769002 0.85 MEN1 (0.51) PDE10ACYP1A2MAPTMEN1KMT2A
SCHEMBL24673785 0.84 PDE10A (0.38) PDE10ACYP1A2MAPTMEN1KMT2A

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 PDE10A 1569/4885CYP1A2 1284/4885MAPT 1953/4885

“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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