SCHEMBL12912431

SCHEMBL12912431

CC(C)(C)c1nc2ccccc2n1-c1ccc(-c2cc3ccccc3c3ccc4ccccc4c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.40
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ FLT3 P36888 3/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ BMX P51813 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ CACNG2 Q9Y698 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ PDPK1 O15530 2/20 0.32
▸ PTGES O14684 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
SCHEMBL12912482 0.85 MAPK1 (0.51) MAPTKDM4EALDH1A1FLT3MAPK1
SCHEMBL12912438 0.83 PDE10A (0.41) MAPTKDM4EALDH1A1HPGDFLT3
SCHEMBL12912447 0.83 CRBN (0.44) CNR2MAPTKDM4EALDH1A1HPGD
SCHEMBL12912484 0.82 CNR2 (0.41) CNR2MAPTKDM4EALDH1A1HPGD
SCHEMBL12912449 0.81 CNR2 (0.40) CNR2MAPTALDH1A1HPGDFLT3
SCHEMBL12912477 0.79 CNR2 (0.41) CNR2MAPTKDM4EALDH1A1HPGD
SCHEMBL14499562 0.77 CNR2 (0.40) CNR2ALDH1A1MAPK1HTTADORA2A
SCHEMBL9611731 0.76 MAPK1 (0.54) MAPTKDM4EALDH1A1FLT3MAPK1
SCHEMBL20286689 0.76 MAPK1 (0.50) CNR2KDM4EALDH1A1HPGDMAPK1
SCHEMBL23251179 0.74 CNR2 (0.42) CNR2HPGDMAPK1HTTADORA2A

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 1953/4885KDM4E 427/4885

“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.

Send feedback