SCHEMBL18317643

SCHEMBL18317643

[c]1c(-c2ncccn2)ccc2c1ccc1c3ccccc3ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
CYP3A4 P08684 2/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
PAX8 Q06710 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
F12 P00748 1/20 0.33

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
SCHEMBL18317229 0.98 CYP3A4 (0.44) HPRT1MAPTLMNACYP3A4APEX1
SCHEMBL18317478 0.84 HPRT1 (0.42) HPRT1MAPTLMNACYP3A4APEX1
SCHEMBL18317760 0.83 KDM4E (0.42) HPRT1MAPTLMNACYP3A4APEX1
SCHEMBL18317395 0.81 MAPT (0.45) HPRT1MAPTLMNACYP3A4APEX1
SCHEMBL18317710 0.79 MAPT (0.42) HPRT1MAPTLMNACYP3A4APEX1
SCHEMBL4720684 0.79 KDM4E (0.37) MAPTLMNACYP3A4MAPK1PMP22
SCHEMBL2590610 0.78 HPRT1 (0.50) HPRT1MAPTLMNACYP3A4APEX1
SCHEMBL5445053 0.78 HPRT1 (0.50) HPRT1MAPTLMNACYP3A4APEX1
SCHEMBL18317464 0.78 HPRT1 (0.39) HPRT1MAPTLMNACYP3A4APEX1
SCHEMBL815764 0.76 HPRT1 (0.46) HPRT1MAPTLMNACYP3A4APEX1

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 HPRT1 2844/4885MAPT 2986/4885LMNA 2153/4885

“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.