SCHEMBL18201044

SCHEMBL18201044

c1ccc2c(-c3nc4ccccc4c4c3ccc3ccccc34)cncc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.44
CYP11B2 P19099 10/20 0.43
CYP11B1 P15538 8/20 0.43
CYP3A4 P08684 2/20 0.43
CYP17A1 P05093 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
ERN1 O75460 1/20 0.39
PGK1 P00558 1/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GPR3 P46089 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL18200469 0.90 PRKCZ (0.52) PRKCZCYP11B2CYP11B1CYP3A4CYP17A1
SCHEMBL18200641 0.85 CYP1A2 (0.42) CYP3A4CYP1A2KDM4EALDH1A1MAPT
SCHEMBL18201278 0.82 TOP2A (0.36) CYP1A2KDM4EGPR3ALDH1A1MAPT
SCHEMBL18200903 0.81 ADORA2A (0.41) KDM4EALDH1A1MAPTHPGD
SCHEMBL18200754 0.81 CYP1A2 (0.37) CYP3A4CYP1A2KDM4EGPR3ALDH1A1
SCHEMBL18201323 0.79 MAPT (0.43) CYP3A4CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL18200874 0.78 MAPT (0.34) CYP1A2KDM4EGPR3ALDH1A1MAPT
SCHEMBL17034863 0.78 NUDT1 (0.50) KDM4EALDH1A1MAPTHPGD
SCHEMBL21537831 0.77 CYP1A2 (0.53) CYP3A4CYP1A2KCNH2KDM4EALDH1A1
SCHEMBL18200646 0.77 ENPP3 (0.41) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1

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 PRKCZ 4876/4885CYP11B2 750/4885CYP11B1 1123/4885

“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.