Sugi Predict

Sugi Predict / Compounds / SCHEMBL1460031

SCHEMBL1460031

SCHEMBL1460031

COc1cc(F)c(-c2cc3cc(-c4ccc(C#N)cc4C)ccc3[nH]2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.38
▸ ORAI1 Q96D31 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CFB P00751 2/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ CDK5R1 Q15078 2/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ HCRTR1 O43613 2/20 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
SCHEMBL1460936 0.93 CYP19A1 (0.42) CYP19A1SCN10ACNR2CNR1KDM4E
SCHEMBL12825966 0.85 ORAI1 (0.39) ORAI1KDM4EMEN1NPC1MAPT
SCHEMBL1459669 0.85 CYP19A1 (0.42) CYP19A1CNR1KDM4EMEN1NPC1
SCHEMBL1460252 0.84 ORAI1 (0.46) CYP19A1ORAI1CYP11B1CYP11B2PDE3B
SCHEMBL1458899 0.82 CYP19A1 (0.38) CYP19A1SCN10ACNR2CYP11B1CYP11B2
SCHEMBL1459945 0.81 HRH2 (0.41) CYP19A1SCN10ACNR2CYP11B1CYP11B2
SCHEMBL1461160 0.81 CYP19A1 (0.43) CYP19A1SCN10ACYP11B1CYP11B2PDE3B
SCHEMBL1459709 0.81 CYP19A1 (0.40) CYP19A1SCN10ACNR2CFBHCRTR1
SCHEMBL1459615 0.81 CYP19A1 (0.48) CYP19A1ORAI1SCN10ACYP11B1CYP11B2
SCHEMBL12826229 0.80 HRH2 (0.38) CYP19A1SCN10ACNR2CYP11B1CYP11B2

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 8 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
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 CYP19A1 1576/4885ORAI1 1/4885SCN10A 245/4885

“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.