SCHEMBL18655364

SCHEMBL18655364

CNc1c2ccc(F)cc2nc2c1ccc1cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
CCR1 P32246 4/20 0.42
CCR8 P51685 4/20 0.42
CCR5 P51681 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP2 P08253 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 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
SCHEMBL18655363 0.91 CCR1 (0.41) ADORA2AADORA1CCR1CCR8CCR5
SCHEMBL18655360 0.83 CCR1 (0.47) ADORA2AADORA1CCR1CCR8CCR5
SCHEMBL18655358 0.82 MAOA (0.43) L3MBTL1MAPTTP53KDM4ECYP3A4
SCHEMBL18655361 0.74 MAPT (0.39) L3MBTL1MAPTTP53KDM4ECYP3A4
SCHEMBL18655357 0.73 MAOA (0.49) L3MBTL1MAPTTP53KDM4ECYP3A4
SCHEMBL25396115 0.69 MAPT (0.55) CCR1CCR8L3MBTL1MAPTLMNA
SCHEMBL29714436 0.68 ALDH1A1 (0.59) CCR1CCR8CCR5MAPTLMNA
SCHEMBL3677458 0.68 ALDH1A1 (0.59) CCR1CCR8CCR5MAPTLMNA
SCHEMBL1063892 0.67 ADORA2A (0.45) ADORA2AADORA1CCR1CCR8L3MBTL1
SCHEMBL15217665 0.66 CCR1 (0.62) CCR1CCR8CCR5L3MBTL1MAPT

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-20170081351-A1 Design, Synthesis, and Biological Activity of Platinum-benz[c]acridine Hybrid Agents and Methods Associated Therewith WAKE FOREST UNIVERSITY 2017-03-23 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-20170081351-A1 Design, Synthesis, and Biological Activity of Platinum-benz[c]acridine Hybrid Agents and Methods Associated Therewith ACR, TP53, MCL1 ADORA2A 3055/4885ADORA1 2907/4885CCR1 292/4885

“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.