SCHEMBL18327445

SCHEMBL18327445

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cnccn5)c4)nc(-c4cccc(-c5cnccn5)c4)n3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.49
GRK6 P43250 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
KMO O15229 2/20 0.44
CYP19A1 P11511 1/20 0.44
PIM1 P11309 2/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
KDR P35968 1/20 0.42
METAP2 P50579 1/20 0.42
DHFR P00374 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41

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
SCHEMBL18327355 0.95 PIM2 (0.48) PIM2GRK6SIRT2KMOCYP19A1
SCHEMBL18327334 0.95 PIM2 (0.50) PIM2GRK6SIRT2KMOCYP19A1
SCHEMBL19039894 0.94 MEN1 (0.46) PIM2GRK6SIRT2CYP19A1PIM1
SCHEMBL25460363 0.92 PIM1 (0.46) PIM2GRK6SIRT2KMOCYP19A1
SCHEMBL21322286 0.92 PIM2 (0.55) PIM2GRK6SIRT2KMOCYP19A1
SCHEMBL27519625 0.92 PIM2 (0.55) PIM2GRK6SIRT2KMOCYP19A1
SCHEMBL18325249 0.88 PIM2 (0.42) PIM2GRK6SIRT2CYP19A1PIM1
SCHEMBL18327312 0.87 CYP19A1 (0.47) PIM2GRK6CYP19A1PIM1BACE1
SCHEMBL21290740 0.86 PIM2 (0.55) PIM2GRK6SIRT2KMOCYP19A1
SCHEMBL18327322 0.86 MEN1 (0.47) PIM2GRK6CYP19A1PIM1KDM4E

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 PIM2 3869/4885GRK6 1753/4885SIRT2 1261/4885

“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.