SCHEMBL18327609

SCHEMBL18327609

c1ccc(-c2ccnc(-c3cc(-c4ncccn4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ ASIC3 Q9UHC3 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TGFBR1 P36897 1/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40

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
SCHEMBL25449310 0.95 ASIC3 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18327601 0.94 MEN1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18327370 0.93 ASIC3 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18327653 0.92 KDM4E (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18327542 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18327373 0.89 MEN1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18327606 0.89 MEN1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18327372 0.88 TGFBR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24722217 0.87 KMO (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18327593 0.87 KMO (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9812652-B2 Cyclic azine compound having adamantyl group, production method, and organic electroluminescent device containing it as constituent component TOSOH CORPORATION (JP) 2017-11-07 — — US disclosed
US-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2016-12-22 — — 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-20160372678-A1 CYCLIC AZINE COMPOUND HAVING ADAMANTYL GROUP, PRODUCTION METHOD, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING IT AS CONSTITUENT COMPONENT CHRM1, AFF1, AZI2 GABRA1 3522/4885GABRG2 4428/4885GABRB3 4168/4885

“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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