SCHEMBL18200720

SCHEMBL18200720

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccnc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PTGES O14684 1/20 0.37
NQO2 P16083 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
DHODH Q02127 1/20 0.36
NTSR1 P30989 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL18347002 0.96 MAPT (0.45) MAPTHPGDKDM4EALDH1A1TSHR
SCHEMBL18347003 0.94 MAPT (0.44) MAPTHPGDKDM4EALDH1A1TSHR
SCHEMBL18201239 0.94 MAPT (0.44) MAPTHPGDKDM4EALDH1A1TSHR
SCHEMBL18201236 0.94 MAPT (0.44) MAPTHPGDKDM4EALDH1A1TSHR
SCHEMBL18200724 0.94 MAPT (0.41) MAPTHPGDKDM4EALDH1A1TSHR
SCHEMBL18200910 0.90 MAPT (0.44) MAPTHPGDKDM4EALDH1A1MAPK1
SCHEMBL18201064 0.89 KDM4E (0.45) MAPTHPGDKDM4EALDH1A1TSHR
SCHEMBL18201051 0.89 KDM4E (0.38) MAPTHPGDKDM4EALDH1A1TSHR
SCHEMBL18201058 0.88 METAP1 (0.44) MAPTKDM4EALDH1A1TSHRMAPK1
SCHEMBL18201060 0.88 CYP1A2 (0.43) MAPTHPGDKDM4EALDH1A1TSHR

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 MAPT 1937/4885HPGD 421/4885KDM4E 1977/4885

“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.