SCHEMBL18200577

SCHEMBL18200577

c1ccc(-c2nc(-c3ccccn3)nc(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)n2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.45
TDP1 Q9NUW8 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 5/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPP1CA P62136 2/20 0.39

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
SCHEMBL18200753 0.92 METAP1 (0.44) METAP1TDP1KDM4EMAPTALDH1A1
SCHEMBL18200581 0.86 MAPT (0.35) TDP1KDM4EMAPTALDH1A1POLB
SCHEMBL18201218 0.86 MAPT (0.43) TDP1KDM4EMAPTALDH1A1KMT2A
SCHEMBL18200675 0.86 CYP3A4 (0.40) KDM4EMAPTALDH1A1MAPK1NPC1
SCHEMBL18201301 0.86 METAP1 (0.45) METAP1TDP1KDM4EMAPTALDH1A1
SCHEMBL18200685 0.86 CYP1A2 (0.48) KDM4EMAPTALDH1A1RAB9AMAPK1
SCHEMBL18200839 0.86 MAPT (0.39) KDM4EMAPTALDH1A1KMT2ARAB9A
SCHEMBL18201283 0.85 METAP1 (0.47) METAP1TDP1KDM4EMAPTALDH1A1
SCHEMBL18200662 0.85 MEN1 (0.43) KDM4EMAPTALDH1A1POLBKMT2A
SCHEMBL18201219 0.84 KDM4E (0.43) TDP1KDM4EMAPTALDH1A1RAB9A

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.