SCHEMBL18325322

SCHEMBL18325322

Cc1ccc(-c2cccc(-c3nc(-c4cccc(-c5cncnc5)c4)nc(-c4cccc(-c5cncnc5)c4)n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ADK P55263 1/20 0.42
KDR P35968 2/20 0.41
EPHB4 P54760 2/20 0.41
TEK Q02763 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 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
SCHEMBL18325225 0.98 ATM (0.46) ATMADKKDREPHB4TEK
SCHEMBL18325316 0.97 ATM (0.42) ATMADKKDREPHB4TEK
SCHEMBL29512037 0.88 ATM (0.54) ATMRAB9ACYP2A6CYP11B1CYP11B2
SCHEMBL21438413 0.88 ATM (0.54) ATMRAB9ACYP2A6CYP11B1CYP11B2
SCHEMBL21982109 0.86 ATM (0.61) ATMRAB9AALDH1A1NFKB1NFKB2
SCHEMBL18327441 0.86 ATM (0.61) ATMRAB9AALDH1A1NFKB1NFKB2
SCHEMBL18327490 0.86 ATM (0.65) ATMRAB9AALDH1A1NFKB1NFKB2
SCHEMBL12311630 0.86 RAB9A (0.48) RAB9AALDH1A1NFKB1NFKB2RELA
SCHEMBL18325270 0.85 ALDH1A1 (0.54) RAB9AALDH1A1TP53NFKB1NFKB2
SCHEMBL18325304 0.84 ALDH1A1 (0.52) RAB9AALDH1A1TP53NFKB1NFKB2

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 ATM 2256/4885ADK 467/4885KDR 4400/4885

“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.