SCHEMBL18201182

SCHEMBL18201182

c1cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)nc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
CCR4 P51679 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
VDR P11473 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
AHR P35869 1/20 0.34
NR1I3 Q14994 1/20 0.34
CTRC Q99895 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
PIM1 P11309 1/20 0.33
CYP1A1 P04798 1/20 0.33

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
SCHEMBL18201296 0.90 MEN1 (0.43) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL18200905 0.90 CYP1A1 (0.39) MEN1KMT2AATMCYP1A2CYP2C9
SCHEMBL18201275 0.87 ATM (0.45) MEN1KMT2AATMCYP1A2MAPT
SCHEMBL18201286 0.87 AURKA (0.37) AURKAAURKBMEN1KMT2AATM
SCHEMBL17034883 0.86 MEN1 (0.43) AURKAAURKBMEN1KMT2AATM
SCHEMBL18201298 0.86 KDM4E (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL18347000 0.86 MEN1 (0.48) AURKAAURKBMEN1KMT2AATM
SCHEMBL18201269 0.85 KDM4E (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL18200580 0.85 MEN1 (0.42) AURKAAURKBMEN1KMT2AATM
SCHEMBL18200726 0.85 MEN1 (0.47) AURKAAURKBMEN1KMT2AATM

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 AURKA 1998/4885AURKB 1803/4885MEN1 1750/4885

“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.