Sugi Predict

Sugi Predict / Compounds / SCHEMBL1459992

SCHEMBL1459992

SCHEMBL1459992

Cc1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PIM1 P11309 4/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ PIM3 Q86V86 3/20 0.33
▸ PIM2 Q9P1W9 3/20 0.33
▸ ORAI1 Q96D31 1/20 0.33
▸ CDK5 Q00535 2/20 0.32
▸ CDK5R1 Q15078 2/20 0.32
▸ CLK2 P49760 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32

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
SCHEMBL1459644 0.94 ORAI1 (0.41) HTTRECQLCYP1A1CYP1A2CYP1B1
SCHEMBL1459780 0.88 KMT2A (0.39) RECQLCYP1A1CYP1A2CYP1B1CSNK1D
SCHEMBL15020851 0.86 ORAI1 (0.44) HTTRECQLCYP1A1CYP1A2CYP1B1
SCHEMBL1460052 0.86 CYP19A1 (0.41) CYP1A2CSNK1DCSNK1EMAPK14APEX1
SCHEMBL1460233 0.85 MAPK14 (0.45) CYP1A1CYP1A2CYP1B1CSNK1DCSNK1E
SCHEMBL1459984 0.84 RAB9A (0.38) RECQLCYP1A1CYP1A2CYP1B1CSNK1D
SCHEMBL1459555 0.82 MAPK14 (0.39) CYP1A1CYP1A2CYP1B1CSNK1DCSNK1E
SCHEMBL1460055 0.82 ORAI1 (0.39) CYP1A1CYP1A2CYP1B1MAPK14ROCK2
SCHEMBL1459713 0.82 ORAI1 (0.38) CYP1A1CYP1A2CYP1B1MAPK14ROCK2
SCHEMBL12826294 0.82 CYP1A1 (0.33) CYP1A1CYP1A2CYP1B1CSNK1DCSNK1E

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 HTT 1433/4885RECQL 1650/4885CYP1A1 971/4885

“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.