SCHEMBL10046381

SCHEMBL10046381

Bc1c(OC)ccc2c(S)cc(-c3cc[nH]c3)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TACR3 P29371 1/20 0.32
NPC1 O15118 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TUBB4A P04350 3/20 0.31
TUBB P07437 3/20 0.31
TUBA3C P0DPH7 3/20 0.31
TUBA1B P68363 3/20 0.31
TUBA4A P68366 3/20 0.31
TUBB4B P68371 3/20 0.31
TUBB3 Q13509 3/20 0.31
TUBB2A Q13885 3/20 0.31
TUBB8 Q3ZCM7 3/20 0.31
TUBA3E Q6PEY2 3/20 0.31
TUBA1A Q71U36 3/20 0.31

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
SCHEMBL10046376 0.78 PDGFRB (0.38) NPC1RAB9ABRD4ADORA1LMNA
SCHEMBL10046380 0.77 NPC1 (0.34) NPC1KDM4EMAPTRAB9A
SCHEMBL10046382 0.74 PDE10A (0.37) NPC1KDM4EMAPTRAB9ALMNA
SCHEMBL10046377 0.72 HPGDS (0.48) PDE10A
SCHEMBL10046378 0.70 TDO2 (0.39) NPC1KDM4EMAPTRAB9AADORA1
SCHEMBL9892687 0.68 TYR (0.40) NPC1KDM4EMAPTRAB9ATUBB4A
SCHEMBL26260066 0.67 HIF1A (0.43) KDRTLR9TLR8TLR7KDM4E
SCHEMBL10046375 0.64 PLAU (0.42) KDRMAPTBRD4
SCHEMBL13074830 0.64 HTR6 (0.39) KDRTACR3KDM4ETUBB4ATUBB
SCHEMBL10099091 0.63 MAPT (0.56) KDM4EMAPTLMNAHPGD

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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES HCCS, CYP3A7, ABL1 KDR 3772/4885TLR9 3557/4885TLR8 3076/4885

“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.