SCHEMBL18201286

SCHEMBL18201286

c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cnc(-c5nc6ccccc6c6c5ccc5ccccc56)cn4)n3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CCR4 P51679 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
HPGD P15428 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
SCHEMBL18200392 0.91 AURKA (0.37) AURKAAURKBMEN1KMT2AATM
SCHEMBL18200817 0.90 CYP1A1 (0.38) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL18201184 0.90 MAPT (0.44) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL18200708 0.89 AURKA (0.36) AURKAAURKBMEN1KMT2AATM
SCHEMBL18201319 0.87 ATM (0.44) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL18201182 0.87 AURKA (0.38) AURKAAURKBMEN1KMT2AATM
SCHEMBL18201289 0.86 MEN1 (0.43) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL18201051 0.86 KDM4E (0.38) AURKAAURKBMEN1KMT2AATM
SCHEMBL18201303 0.85 MAPT (0.40) AURKAAURKBMEN1KMT2AATM
SCHEMBL18347000 0.85 MEN1 (0.48) 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.