SCHEMBL1480797

SCHEMBL1480797

CCn1cc(-c2cccc(C(F)(F)F)c2)nc1/C=C/c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.49
ADORA2A P29274 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ERBB2 P04626 5/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 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
SCHEMBL1480800 1.00 TLR8 (0.49) TLR8ADORA2AF2RL3NFE2L2ERBB2
SCHEMBL1480980 0.87 TLR8 (0.47) TLR8ADORA2AF2RL3NFE2L2ERBB2
SCHEMBL1480976 0.87 TLR8 (0.47) TLR8ADORA2AF2RL3NFE2L2ERBB2
SCHEMBL1480861 0.86 ERBB2 (0.46) TLR8ERBB2
SCHEMBL1480865 0.86 ERBB2 (0.46) TLR8ERBB2
SCHEMBL1482926 0.85 NPC1 (0.40) TLR8ERBB2ALDH1A1SMN1; SMN2TP53
SCHEMBL1482925 0.85 NPC1 (0.40) TLR8ERBB2ALDH1A1SMN1; SMN2TP53
SCHEMBL1481444 0.82 NPC1 (0.43) TLR8ALDH1A1SMN1; SMN2TP53HPGD
SCHEMBL1481442 0.82 NPC1 (0.43) TLR8ALDH1A1SMN1; SMN2TP53HPGD
SCHEMBL1480879 0.80 ERBB2 (0.37) TLR8ADORA2AERBB2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
CN-1747936-A Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA INC (US) 2006-03-15 CN disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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 (2 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ TLR8 2695/4885ADORA2A 3396/4885F2RL3 3323/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ TLR8 2695/4885ADORA2A 3396/4885F2RL3 3323/4885

“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.