SCHEMBL18201296

SCHEMBL18201296

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)n3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
ACP1 P24666 2/20 0.37
PDE5A O76074 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
ABCG2 Q9UNQ0 4/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL18201269 0.92 KDM4E (0.45) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL18201275 0.91 ATM (0.45) MEN1KMT2AATMMAPTRAB9A
SCHEMBL18201298 0.91 KDM4E (0.43) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL18201182 0.90 AURKA (0.38) MEN1KMT2AATMMAPTRAB9A
SCHEMBL18201181 0.89 CYP1A2 (0.44) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL18200904 0.89 RAB9A (0.48) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL18201299 0.88 MAPT (0.41) MEN1KMT2AATMMAPTRAB9A
SCHEMBL18201165 0.88 KMT2A (0.37) MEN1KMT2AATMMAPTRAB9A
SCHEMBL18201178 0.87 METAP1 (0.48) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL18200693 0.86 PTGES (0.41) MEN1KMT2AATMMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 MEN1 1750/4885KMT2A 1104/4885ATM 2923/4885

“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.