SCHEMBL18200314

SCHEMBL18200314

c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc6ccccc6c6c5ccc5ccccc56)c4)c3)cc(-c3ccccn3)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.42
METAP1 P53582 5/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
ALPL P05186 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AHR P35869 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL18201070 1.00 CYP2C9 (0.42) CYP2C9METAP1KDM4EMAPK1CCR1
SCHEMBL18200387 0.95 CYP2C9 (0.40) CYP2C9METAP1KDM4EMAPK1CCR1
SCHEMBL18200313 0.92 KDM4E (0.43) CYP2C9METAP1KDM4EMAPK1CCR1
SCHEMBL18200637 0.91 DHODH (0.40) CYP2C9METAP1KDM4EMAPK1CCR1
SCHEMBL18200386 0.91 METAP1 (0.43) CYP2C9METAP1KDM4EMAPK1CCR1
SCHEMBL18200409 0.90 MAPK1 (0.40) CYP2C9METAP1KDM4EMAPK1LMNA
SCHEMBL18200418 0.89 TSHR (0.39) CYP2C9METAP1KDM4EMAPK1LMNA
SCHEMBL18346959 0.89 TSHR (0.39) CYP2C9METAP1KDM4EMAPK1LMNA
SCHEMBL18201253 0.89 MAPK1 (0.41) CYP2C9METAP1KDM4EMAPK1LMNA
SCHEMBL18200497 0.88 TSHR (0.41) CYP2C9METAP1KDM4EMAPK1LMNA

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 31/4885METAP1 2608/4885KDM4E 1977/4885

“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.