SCHEMBL1464559

SCHEMBL1464559

CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCNCC3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAT P00750 12/20 0.40
TLR9 Q9NR96 5/20 0.37
TLR8 Q9NR97 5/20 0.37
TLR7 Q9NYK1 5/20 0.37
GRIA2 P42262 1/20 0.34
PRMT5 O14744 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1460246 0.92 GRIA1 (0.34) PLATGRIA2POLB
Tert-Butyl Formate SCHEMBL27862135 0.91 PLAT (0.38) PLATTLR9TLR8TLR7GRIA2
SCHEMBL1463510 0.90 ATR (0.36) PLATGRIA2
SCHEMBL1460353 0.86 TGFBR1 (0.40) TLR9TLR8TLR7PRMT5
SCHEMBL1462834 0.86 TLR9 (0.36) TLR9TLR8TLR7
SCHEMBL27862098 0.85 TLR9 (0.41) TLR9TLR8TLR7
SCHEMBL1462534 0.85 ATR (0.37) PLATTLR9TLR8TLR7GRIA2
SCHEMBL27862133 0.83 IDH1 (0.34) TLR9TLR8TLR7
SCHEMBL1460273 0.82 HTT (0.43) PRMT5MEN1KMT2A
SCHEMBL12745974 0.78 ALOX5 (0.40) PRMT5

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
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E PLAT 4883/4885TLR9 4467/4885TLR8 4215/4885

“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.