SCHEMBL18201150

SCHEMBL18201150

c1ccc2c(c1)ccc1c(-c3ccc(-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)c4cccnc34)nc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 5/20 0.37
PDE5A O76074 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
TOP2A P11388 1/20 0.35
PTGS1 P23219 1/20 0.35
TBXAS1 P24557 1/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 2/20 0.34

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
SCHEMBL18200835 0.94 LMNA (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18201151 0.89 ALDH1A1 (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18201152 0.89 COMT (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18200567 0.89 TOP2A (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18200568 0.88 TOP2A (0.34) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL18201160 0.87 CYP1A2 (0.43) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL18200569 0.87 METAP1 (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18200873 0.87 CYP3A4 (0.40) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL18201251 0.86 TOP2A (0.40) KMT2AMAPTKDM4ETSHRLMNA
SCHEMBL18200833 0.86 TOP1 (0.46) MAPTKDM4EALDH1A1HPGDTSHR

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 MEN1 1750/4885KMT2A 1104/4885MAPT 1937/4885

“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.