SCHEMBL18201076

SCHEMBL18201076

c1ccc2cc(-c3nc4ccccc4c4c3cc(-c3nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n3)c3ccccc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
DHODH Q02127 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA1 P30542 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B1 P15538 1/20 0.35
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL18200759 0.95 MEN1 (0.39) GPR84MEN1KMT2AATMALDH1A1
SCHEMBL18346978 0.94 MEN1 (0.38) GPR84MEN1KMT2AATMALDH1A1
SCHEMBL18200989 0.94 CYP1A1 (0.35) GPR84MEN1KMT2AALDH1A1HSD17B10
SCHEMBL18346973 0.92 CYP11B1 (0.39) GPR84MEN1KMT2AALDH1A1HSD17B10
SCHEMBL18200543 0.92 MEN1 (0.36) GPR84MEN1KMT2AATMALDH1A1
SCHEMBL18200552 0.91 MEN1 (0.36) GPR84MEN1KMT2AATMALDH1A1
SCHEMBL18200590 0.91 MEN1 (0.46) MEN1KMT2AATMALDH1A1HSD17B10
SCHEMBL18200920 0.90 MEN1 (0.38) GPR84MEN1KMT2AATMALDH1A1
SCHEMBL18200353 0.90 MEN1 (0.35) GPR84MEN1KMT2AATMALDH1A1
SCHEMBL18200554 0.90 ACACA (0.39) GPR84ALDH1A1DHODHHPGDMAPK1

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 GPR84 1679/4885MEN1 1750/4885KMT2A 1104/4885

“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.