SCHEMBL2966046

SCHEMBL2966046

[c]1cc2ccc(-c3ccc4c[c]c5cccnc5c4n3)nc2c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.42
CCR8 P51685 5/20 0.42
LMNA P02545 4/20 0.42
CCR5 P51681 4/20 0.42
HSP90AA1 P07900 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MMP2 P08253 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GMNN O75496 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
MMP9 P14780 1/20 0.42
NFKB1 P19838 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL25121 0.85 CCR1 (0.54) CCR1CCR8LMNACCR5HSP90AA1
SCHEMBL2407335 0.76 CCR1 (0.35) CCR1CCR8LMNACCR5HSP90AA1
SCHEMBL17899316 0.74 CCR1 (0.76) CCR1CCR8LMNACCR5HSP90AA1
SCHEMBL29413987 0.74 CCR1 (0.76) CCR1CCR8LMNACCR5HSP90AA1
SCHEMBL22101154 0.74 CCR1 (0.76) CCR1CCR8LMNACCR5HSP90AA1
SCHEMBL2407975 0.74 CCR1 (0.41) CCR1CCR8LMNACCR5HSP90AA1
SCHEMBL2513044 0.73 ALDH1A1 (0.47) CCR1CCR8LMNACCR5HSP90AA1
SCHEMBL2519049 0.73 CCR1 (0.43) CCR1CCR8LMNACCR5HSP90AA1
SCHEMBL2409957 0.72 CCR1 (0.37) CCR1CCR8LMNACCR5HSP90AA1
SCHEMBL2407347 0.70 CCR1 (0.45) CCR1CCR8LMNACCR5HSP90AA1

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-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 US disclosed
US-20070212568-A1 Organic Electroluminescent Device CHISSO CORPORATION (JP) 2007-09-13 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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 CCR1 1580/4885CCR8 3021/4885LMNA 1395/4885

“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.