SCHEMBL18200469

SCHEMBL18200469

c1ccc2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)cncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.52
CYP11B1 P15538 7/20 0.45
CYP11B2 P19099 7/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2B6 P20813 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
ERN1 O75460 1/20 0.43
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
FLT3 P36888 1/20 0.39
MYLK Q15746 1/20 0.39
AURKB Q96GD4 1/20 0.39
CILK1 Q9UPZ9 1/20 0.39
CDK11A Q9UQ88 1/20 0.39
ROCK2 O75116 1/20 0.39
NAMPT P43490 1/20 0.39
CYP17A1 P05093 2/20 0.39

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
SCHEMBL18201044 0.90 PRKCZ (0.44) PRKCZCYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL18200646 0.86 ENPP3 (0.41) CYP2C9CYP2C19CYP1A2KDM4EALDH1A1
SCHEMBL18201034 0.85 CA12 (0.43) CYP2C9CYP2C19CYP1A2KDM4EALDH1A1
SCHEMBL18200601 0.82 NUDT1 (0.47) KDM4EALDH1A1MAPTHPGD
SCHEMBL18200600 0.82 NUDT1 (0.47) KDM4EALDH1A1MAPTHPGD
SCHEMBL17034863 0.82 NUDT1 (0.50) KDM4EALDH1A1MAPTHPGD
SCHEMBL18200671 0.81 CYP11B1 (0.41) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL17034892 0.80 CYP1A2 (0.38) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL18200641 0.79 CYP1A2 (0.42) CYP3A4CYP1A2KDM4EALDH1A1MAPT
SCHEMBL18200412 0.79 ATM (0.51) CYP1A2KDM4EALDH1A1MAPTHPGD

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 4876/4885CYP11B1 1123/4885CYP11B2 750/4885

“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.