SCHEMBL18200731

SCHEMBL18200731

c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)nc(-c3ccccn3)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.44
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
AHR P35869 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL18200884 0.99 METAP1 (0.43) METAP1MAPK1TSHRHSD17B10TDP1
SCHEMBL18346948 0.98 METAP1 (0.42) METAP1MAPK1TSHRHSD17B10TDP1
SCHEMBL18200733 0.94 METAP1 (0.41) METAP1MAPK1TSHRHSD17B10TDP1
SCHEMBL18200806 0.94 METAP1 (0.41) METAP1MAPK1TSHRHSD17B10TDP1
SCHEMBL17034934 0.89 METAP1 (0.42) METAP1MAPK1TSHRHSD17B10TDP1
SCHEMBL18200341 0.89 METAP1 (0.47) METAP1MAPK1TSHRHSD17B10TDP1
SCHEMBL18200418 0.89 TSHR (0.39) METAP1MAPK1TSHRHSD17B10KDM4E
SCHEMBL18346959 0.89 TSHR (0.39) METAP1MAPK1TSHRHSD17B10KDM4E
SCHEMBL18201253 0.89 MAPK1 (0.41) METAP1MAPK1TSHRHSD17B10KDM4E
SCHEMBL18201058 0.88 METAP1 (0.44) METAP1MAPK1TSHRHSD17B10TDP1

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 METAP1 2608/4885MAPK1 4645/4885TSHR 4253/4885

“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.