SCHEMBL18200725

SCHEMBL18200725

O=P(c1ccccc1)(c1ccccc1)c1ccnc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.38
TOP2A P11388 1/20 0.36
AHR P35869 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
FDPS P14324 1/20 0.33
LMNA P02545 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP3A4 P08684 2/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL17034900 0.83 CYP2C9 (0.33) CYP2C9TOP2AMAPTLMNA
SCHEMBL17034902 0.82 MAPT (0.39) CYP2C9AHRMAPTKDM4EALDH1A1
SCHEMBL18200910 0.82 MAPT (0.44) TOP2AAHRMAPTKDM4EALDH1A1
SCHEMBL18200531 0.81 MAPT (0.33) CYP2C9AHRMAPTKDM4EALDH1A1
SCHEMBL17034894 0.81 DHODH (0.40) KDM4EALDH1A1LMNA
SCHEMBL18200622 0.81 DHODH (0.40) KDM4EALDH1A1LMNA
SCHEMBL18200623 0.81 DHODH (0.40) KDM4EALDH1A1LMNA
SCHEMBL18200342 0.81 MAPT (0.37) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL18200830 0.81 DHODH (0.39) MAPTALDH1A1HPGDLMNA
SCHEMBL18201270 0.80 NPC1 (0.38) CYP2C9TOP2AMAPTKDM4ECYP1A2

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 CYP2C9 31/4885TOP2A 3861/4885AHR 59/4885

“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.