Sugi Predict

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SCHEMBL1460909

SCHEMBL1460909

Cc1sc(I)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.38
▸ CSNK1D P48730 3/20 0.38
▸ CSNK1E P49674 3/20 0.38
▸ CYP1A1 P04798 2/20 0.35
▸ MPL P40238 1/20 0.34
▸ APEX1 P27695 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL1459982 0.84 MAPK14 (0.35) MAPK14CSNK1DCSNK1ECYP1A1MPL
SCHEMBL1459932 0.82 TLR9 (0.35) MAPK14CSNK1DCSNK1ECYP1A1MPL
SCHEMBL1460233 0.82 MAPK14 (0.45) MAPK14CSNK1DCSNK1ECYP1A1APEX1
SCHEMBL1460052 0.80 CYP19A1 (0.41) MAPK14CSNK1DCSNK1EAPEX1KDM4E
SCHEMBL1459780 0.80 KMT2A (0.39) MAPK14CSNK1DCSNK1ECYP1A1APEX1
SCHEMBL1459555 0.80 MAPK14 (0.39) MAPK14CSNK1DCSNK1ECYP1A1MPL
SCHEMBL1464229 0.78 CSNK1E (0.35) MAPK14CSNK1DCSNK1EALDH1A1HSD17B10
SCHEMBL1461145 0.78 APEX1 (0.35) MAPK14CSNK1DCSNK1EAPEX1PIM1
SCHEMBL1459992 0.78 HTT (0.38) MAPK14CSNK1DCSNK1ECYP1A1APEX1
SCHEMBL1458890 0.75 CYP19A1 (0.39) MAPK14CSNK1DCSNK1ECYP1A1APEX1

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 9 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 claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP 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 MAPK14 3112/4885CSNK1D 489/4885CSNK1E 516/4885

“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.