SCHEMBL18174540

SCHEMBL18174540

c1cnc2c(c1)c1nccnc1c1nccnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
NPC1 O15118 1/20 0.64
KDM4E B2RXH2 4/20 0.50
CCR1 P32246 3/20 0.50
CCR8 P51685 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
CYP3A4 P08684 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
MMP2 P08253 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL30128213 1.00 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4ECCR1
SCHEMBL3070322 0.97 HSP90AA1 (0.61) HSP90AA1L3MBTL1NPC1KDM4ECCR1
SCHEMBL29849953 0.97 HSP90AA1 (0.67) HSP90AA1L3MBTL1NPC1KDM4ECCR1
SCHEMBL4009364 0.97 HSP90AA1 (0.67) HSP90AA1L3MBTL1NPC1KDM4ECCR1
SCHEMBL6045195 0.95 HSP90AA1 (0.58) HSP90AA1L3MBTL1NPC1KDM4ECCR1
SCHEMBL26749762 0.94 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4ECCR1
SCHEMBL18816320 0.91 L3MBTL1 (0.52) HSP90AA1L3MBTL1NPC1KDM4ECCR1
SCHEMBL3305606 0.90 DHFR (0.55) HSP90AA1L3MBTL1NPC1KDM4ECCR1
SCHEMBL4993117 0.88 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4ECCR1
SCHEMBL17523388 0.88 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4ECCR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 US disclosed
US-20160329509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2016-11-10 US disclosed
US-20160329509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2016-11-10 US disclosed
US-9478758-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-10-25 US disclosed
US-9478758-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-10-25 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 (3 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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 HSP90AA1 3267/4885L3MBTL1 206/4885NPC1 3947/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 HSP90AA1 3424/4885L3MBTL1 24/4885NPC1 3157/4885
US-20160329509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, SLC25A21, SLC25A11 HSP90AA1 3163/4885L3MBTL1 1621/4885NPC1 2165/4885

“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.