SCHEMBL18200575

SCHEMBL18200575

c1ccc2cc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cn3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
CYP1A2 P05177 3/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
HIF1A Q16665 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL18200464 0.95 DHODH (0.38) CYP11B1CYP11B2MEN1KMT2ACYP1A1
SCHEMBL18201187 0.95 MAPT (0.38) CYP11B1CYP11B2CYP1B1PIK3CDPIK3CA
SCHEMBL18201113 0.91 MAPT (0.40) CYP11B1CYP11B2ADORA2APIK3CDPIK3CA
SCHEMBL18200708 0.90 AURKA (0.36) MEN1KMT2AADORA2AADORA1PIK3CD
SCHEMBL18200363 0.90 DHODH (0.38) MEN1KMT2APIK3CDPIK3CAPIK3CB
SCHEMBL18200867 0.90 CYP17A1 (0.39) CYP11B1CYP11B2MEN1KMT2ACYP1A1
SCHEMBL18200817 0.88 CYP1A1 (0.38) CYP11B1CYP11B2MEN1KMT2ACYP1A1
SCHEMBL18200392 0.86 AURKA (0.37) MEN1KMT2AADORA2AADORA1PIK3CD
SCHEMBL18200645 0.86 MAPK8 (0.43) CYP1A1CYP1B1ADORA2AADORA1SMN1; SMN2
SCHEMBL18200547 0.85 MAPT (0.41) MEN1KMT2ACYP1A1CYP1B1SMN1; SMN2

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 CYP11B1 1123/4885CYP11B2 750/4885MEN1 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.