SCHEMBL1102872

SCHEMBL1102872

c1cnc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ncccc34)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.53
CCR8 P51685 5/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 4/20 0.53
CCR5 P51681 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 2/20 0.53
MMP2 P08253 2/20 0.53
TSHR P16473 2/20 0.53
HSP90AA1 P07900 2/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
GMNN O75496 1/20 0.53
CYP2D6 P10635 1/20 0.53
MMP9 P14780 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
MMP8 P22894 1/20 0.53

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
SCHEMBL2448839 0.95 CCR1 (0.59) CCR1CCR8MAPTLMNAKDM4E
SCHEMBL29444813 0.95 CCR1 (0.59) CCR1CCR8MAPTLMNAKDM4E
SCHEMBL1103060 0.91 CCR1 (0.47) CCR1CCR8MAPTLMNAKDM4E
SCHEMBL13015742 0.90 MAPT (0.53) CCR1CCR8MAPTLMNAKDM4E
SCHEMBL13512152 0.90 MAPT (0.46) CCR1CCR8MAPTLMNAKDM4E
SCHEMBL23502264 0.87 CCR1 (0.50) CCR1CCR8MAPTLMNAKDM4E
SCHEMBL16433752 0.87 CCR1 (0.50) CCR1CCR8MAPTLMNAKDM4E
SCHEMBL23510844 0.87 MAPT (0.50) CCR1CCR8MAPTLMNAKDM4E
SCHEMBL1103180 0.87 CCR1 (0.43) CCR1CCR8MAPTLMNAKDM4E
SCHEMBL17756850 0.87 CCR1 (0.53) CCR1CCR8MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 CCR1 1341/4885CCR8 1581/4885MAPT 3162/4885

“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.