SCHEMBL18325271

SCHEMBL18325271

Cc1nc(C)nc(-c2cc(-c3ccc(-c4nccc5ccccc45)cc3)cc(-c3ccc(-c4nccc5ccccc45)cc3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2A6 P11509 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
GPR55 Q9Y2T6 1/20 0.42
KMT2A Q03164 2/20 0.41
GLA P06280 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
SCHEMBL18325281 0.93 CYP2A6 (0.47) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL18325253 0.92 KDM4E (0.46) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL2301704 0.87 NPC1 (0.53) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL18325248 0.87 KDM4E (0.46) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL16026675 0.85 MAPT (0.50) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL16026757 0.85 MAPT (0.50) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL14950027 0.85 KDM4E (0.57) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL18325294 0.84 L3MBTL1 (0.47) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL2302152 0.83 HTR2B (0.49) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL16210532 0.83 KDM4E (0.48) KDM4ENPC1RAB9AMAPTMAPK1

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 KDM4E 2202/4885NPC1 2628/4885RAB9A 1464/4885

“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.