SCHEMBL18201058

SCHEMBL18201058

c1ccc(-c2nc(-c3ccnc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)nc(-c3ccccn3)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.44
TDP1 Q9NUW8 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 5/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
AHR P35869 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PPP1CA P62136 2/20 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
SCHEMBL18200724 0.92 MAPT (0.41) KDM4EMAPTALDH1A1TSHRMAPK1
SCHEMBL18201057 0.90 KDM4E (0.39) TDP1KDM4EMAPTALDH1A1TSHR
SCHEMBL18201051 0.89 KDM4E (0.38) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL18201064 0.89 KDM4E (0.45) KDM4EMAPTALDH1A1POLBTSHR
SCHEMBL18200731 0.88 METAP1 (0.44) METAP1TDP1KDM4EMAPTALDH1A1
SCHEMBL18200720 0.88 MAPT (0.46) KDM4EMAPTALDH1A1TSHRMAPK1
SCHEMBL18200884 0.87 METAP1 (0.43) METAP1TDP1KDM4EMAPTALDH1A1
SCHEMBL18200341 0.87 METAP1 (0.47) METAP1TDP1KDM4EMAPTALDH1A1
SCHEMBL18201073 0.86 ATM (0.43) TDP1KDM4EMAPTALDH1A1POLB
SCHEMBL18346948 0.86 METAP1 (0.42) METAP1TDP1KDM4EMAPTALDH1A1

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.