SCHEMBL17345162

SCHEMBL17345162

c1cnc2c(-c3cc(-c4cccc5nccnc45)cc(-c4cccc5nccnc45)c3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.50
CCR8 P51685 4/20 0.50
LMNA P02545 3/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
CCR5 P51681 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 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
SCHEMBL17345167 0.89 MAPT (0.50) CCR1CCR8LMNAMMP2TSHR
SCHEMBL17334526 0.89 CCR1 (0.62) CCR1CCR8LMNAMMP2TSHR
SCHEMBL30563009 0.81 CCR1 (0.52) CCR1CCR8LMNAMMP2TSHR
SCHEMBL4373392 0.81 LMNA (0.52) CCR1CCR8LMNAMMP2TSHR
SCHEMBL27191397 0.81 CCR1 (0.52) CCR1CCR8LMNAMMP2TSHR
SCHEMBL7918759 0.79 POLB (0.67) CCR1CCR8LMNAMMP2TSHR
SCHEMBL9681324 0.79 CCR1 (0.55) CCR1CCR8LMNAMMP2TSHR
SCHEMBL29654363 0.79 CCR1 (0.55) CCR1CCR8LMNAMMP2TSHR
SCHEMBL25523906 0.77 MAPT (0.50) CCR1CCR8LMNAMMP2TSHR
SCHEMBL16483471 0.77 LMNA (0.48) CCR1CCR8LMNAMMP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9954184-B2 Electron transport material for organic emitting diodes NITTO DENKO CORPORATION (JP) 2018-04-24 US disclosed
US-20150364699-A1 Novel Electron Transport Material for Organic Emitting Diodes NITTO DENKO CORPORATION (JP) 2015-12-17 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-20150364699-A1 Novel Electron Transport Material for Organic Emitting Diodes ELOVL3, ETV1, ETFA CCR1 1340/4885CCR8 2790/4885LMNA 2263/4885

“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.