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Sugi Predict / Compounds / SCHEMBL1459945

SCHEMBL1459945

SCHEMBL1459945

Cc1cc(C#N)ccc1-c1ccc2[nH]c(-c3c(F)cc(OCCO)cc3F)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ CYP19A1 P11511 2/20 0.38
▸ PRKAG1 P54619 4/20 0.37
▸ PRKAA2 P54646 4/20 0.37
▸ PRKAB1 Q9Y478 4/20 0.37
▸ PRKAB2 O43741 3/20 0.37
▸ PRKAA1 Q13131 3/20 0.37
▸ PRKAG3 Q9UGI9 3/20 0.37
▸ PRKAG2 Q9UGJ0 3/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ ALK Q9UM73 2/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ SCN10A Q9Y5Y9 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
SCHEMBL1460274 0.96 HRH2 (0.41) HRH2HRH1CYP19A1PRKAG1PRKAA2
Cyanate SCHEMBL27878645 0.92 HRH2 (0.39) HRH2HRH1CYP19A1KCNH2CDK5
SCHEMBL1458899 0.92 CYP19A1 (0.38) HRH2HRH1CYP19A1KCNH2ALK
SCHEMBL1459793 0.91 HRH2 (0.38) HRH2HRH1CYP19A1PRKAG1PRKAA2
SCHEMBL12826229 0.91 HRH2 (0.38) HRH2HRH1CYP19A1KCNH2CDK5
SCHEMBL1460936 0.87 CYP19A1 (0.42) CYP19A1KCNH2CDK5CDK5R1CYP11B1
SCHEMBL12825547 0.85 CYP1A1 (0.38) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1
SCHEMBL1461160 0.85 CYP19A1 (0.43) CYP19A1KCNH2CDK5CDK5R1CYP11B1
SCHEMBL1459615 0.83 CYP19A1 (0.48) CYP19A1KCNH2CDK5CDK5R1CYP11B1
SCHEMBL12826823 0.82 AURKA (0.38) PRKAG1PRKAA2PRKAB1PRKAB2PRKAA1

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 HRH2 437/4885HRH1 473/4885CYP19A1 1576/4885

“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.