SCHEMBL19345007

SCHEMBL19345007

N#Cc1cc(N2c3ccccc3Cc3ccccc32)ccc1-c1ccc(N2c3ccccc3Cc3ccccc32)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
AR P10275 5/20 0.37
SLC22A12 Q96S37 4/20 0.35
MAPKAPK2 P49137 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL19344966 0.88 AR (0.39) HPGDARSLC22A12MAPKAPK2ALDH1A1
SCHEMBL19340282 0.84 HPGD (0.41) HPGDARSLC22A12MAPKAPK2ALDH1A1
SCHEMBL19345005 0.82 STS (0.42) HPGD
SCHEMBL19344959 0.78 KDM4E (0.35) HPGDARMAPKAPK2ALDH1A1LMNA
SCHEMBL19345275 0.78 HDAC6 (0.42) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL19345014 0.78 KDM4E (0.37) HPGDARALDH1A1LMNASMN1; SMN2
SCHEMBL6024614 0.77 HPGD (0.47) HPGDKDM4EMAPT
SCHEMBL19344941 0.76 HPGD (0.36) HPGDAR
SCHEMBL19345274 0.76 PGR (0.43) ARKDM4EMAPT
SCHEMBL19345010 0.76 ALDH1A1 (0.35) HPGDARALDH1A1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 US 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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, RPS10, OR51E2 HPGD 3757/4885AR 667/4885SLC22A12 1655/4885

“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.