SCHEMBL1459990

SCHEMBL1459990

CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3=CCCCC3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.35
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
NCOR2 Q9Y618 2/20 0.33
CSF1R P07333 1/20 0.32
IDO1 P14902 1/20 0.32
PTGS1 P23219 1/20 0.32
SCN9A Q15858 7/20 0.32
CHEK1 O14757 1/20 0.32
PDPK1 O15530 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
SCHEMBL1463322 0.85 ATR (0.33) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1460048 0.85 ULK1 (0.37) PTGDR2SCN9A
SCHEMBL1460224 0.79 CDK9 (0.42)
SCHEMBL1460149 0.78 TRPA1 (0.37) PTGDR2SCN9A
SCHEMBL1463224 0.75 PTGS2 (0.44) PTGS2PTGS1SCN9APDPK1
SCHEMBL1460246 0.75 GRIA1 (0.34) PTGDR2HDAC3HDAC4HDAC1HDAC7
Tert-Butyl Formate SCHEMBL27862147 0.75 SCN9A (0.32) PTGDR2SCN9A
SCHEMBL1459178 0.75 PTGDR2 (0.36) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL18853892 0.75 PTGS2 (0.46) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1460337 0.75 CLK2 (0.40) PTGS2PTGDR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
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
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 PTGS2 876/4885PTGDR2 397/4885HDAC3 1265/4885

“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.