SCHEMBL18201178

SCHEMBL18201178

c1ccc(-c2nc(-c3ccccn3)nc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)n3)n2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.48
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 5/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
PPP1CA P62136 1/20 0.43
HIF1A Q16665 1/20 0.43
ALOX15 P16050 1/20 0.43
NPC1 O15118 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 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
SCHEMBL18201283 0.89 METAP1 (0.47) METAP1TDP1KDM4EKMT2ARAB9A
SCHEMBL18201165 0.88 KMT2A (0.37) METAP1TDP1KDM4EKMT2ARAB9A
SCHEMBL17034862 0.88 NPC1 (0.46) METAP1KDM4ERAB9AL3MBTL1LMNA
SCHEMBL18201296 0.87 MEN1 (0.43) TDP1KDM4EKMT2ARAB9AMEN1
SCHEMBL18200341 0.86 METAP1 (0.47) METAP1TDP1KDM4EKMT2ARAB9A
SCHEMBL18201058 0.85 METAP1 (0.44) METAP1TDP1KDM4EKMT2ARAB9A
SCHEMBL18200731 0.85 METAP1 (0.44) METAP1TDP1KDM4EKMT2ARAB9A
SCHEMBL18201269 0.85 KDM4E (0.45) KDM4EKMT2ARAB9AMEN1MAPK1
SCHEMBL18200993 0.85 METAP1 (0.46) METAP1TDP1KDM4EKMT2ARAB9A
SCHEMBL18200375 0.84 METAP1 (0.43) METAP1TDP1KDM4EKMT2ARAB9A

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 2608/4885TDP1 2443/4885KDM4E 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.