SCHEMBL676863

SCHEMBL676863

c1cnc2[nH]c3ccc(-c4nccs4)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.50
TLR7 Q9NYK1 2/20 0.50
TLR9 Q9NR96 1/20 0.50
CYP2A6 P11509 1/20 0.45
CHEK1 O14757 2/20 0.45
METAP1 P53582 1/20 0.43
PDPK1 O15530 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB2 P07550 1/20 0.39
AURKA O14965 1/20 0.39
PARP1 P09874 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HDAC2 Q92769 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL12093381 0.78 ADORA2A (0.51) CHEK1MAPTMEN1KMT2AAURKA
SCHEMBL676408 0.76 BRD4 (0.48) CHEK1MAPTMEN1KMT2AAURKA
SCHEMBL679102 0.75 RIPK1 (0.52) CHEK1MAPTMEN1KMT2AAURKA
SCHEMBL28847891 0.75 TLR8 (0.50) TLR8TLR7TLR9CYP2A6METAP1
SCHEMBL16475866 0.75 CHEK1 (0.45) CHEK1MAPTMEN1KMT2AAURKA
SCHEMBL676191 0.75 ROCK2 (0.48) CHEK1MAPTMEN1KMT2APARP1
SCHEMBL16761004 0.74 ADORA2A (0.48) CHEK1MAPTMEN1KMT2AAURKA
SCHEMBL10013456 0.74 PDPK1 (0.60) TLR8TLR7TLR9CYP2A6CHEK1
SCHEMBL13460961 0.73 AXL (0.47) CHEK1PDPK1MAPTMEN1AURKA
SCHEMBL678677 0.72 ALK (0.58) CHEK1MAPTMEN1KMT2AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 TLR8 3806/4885TLR7 3780/4885TLR9 3374/4885

“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.