SCHEMBL18201064

SCHEMBL18201064

c1ccc2c(c1)ccc1c(-c3cc(-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)ccn3)nc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDE5A O76074 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
AR P10275 1/20 0.38
CYP2D6 P10635 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
SCHEMBL18200724 0.95 MAPT (0.41) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL18201051 0.91 KDM4E (0.38) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL18201073 0.90 ATM (0.43) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL18201058 0.89 METAP1 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL18200720 0.89 MAPT (0.46) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL18201060 0.89 CYP1A2 (0.43) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL18201057 0.88 KDM4E (0.39) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL18347002 0.88 MAPT (0.45) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL18200910 0.86 MAPT (0.44) KDM4EMAPTALDH1A1HPGDKMT2A
SCHEMBL18347003 0.86 MAPT (0.44) KDM4EMAPTALDH1A1HPGDMEN1

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 KDM4E 1977/4885MAPT 1937/4885ALDH1A1 85/4885

“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.