SCHEMBL12435442

SCHEMBL12435442

CCC(CC)c1cc2ccccc2nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
EGFR P00533 3/20 0.49
TOP2A P11388 3/20 0.49
TOP2B Q02880 3/20 0.49
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR8 Q9NR97 7/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL831159 0.80 EGFR (0.53) KMT2AEGFRTOP2ATOP2BALDH1A1
SCHEMBL27781219 0.79 EGFR (0.51) KMT2AEGFRTOP2ATOP2BALDH1A1
SCHEMBL22198990 0.77 EGFR (0.50) KMT2AEGFRTOP2ATOP2BALDH1A1
SCHEMBL682003 0.77 EGFR (0.50) KMT2AEGFRTOP2ATOP2BALDH1A1
SCHEMBL681857 0.77 EGFR (0.57) KMT2AEGFRTOP2ATOP2BALDH1A1
SCHEMBL2178320 0.77 EGFR (0.53) KMT2AEGFRTOP2ATOP2BALDH1A1
SCHEMBL372693 0.76 EGFR (0.49) KMT2AEGFRTOP2ATOP2BALDH1A1
SCHEMBL8735682 0.73 KMT2A (0.70) KMT2AALDH1A1MAPTGLAHPGD
SCHEMBL28087562 0.72 TLR8 (0.66) KMT2AALDH1A1MAPTHPGDTLR8
SCHEMBL13425074 0.71 TLR8 (0.67) KMT2AALDH1A1MAPTGLAHPGD

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-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 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-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 KMT2A 777/4885EGFR 2972/4885TOP2A 438/4885

“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.