Sugi Predict

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SCHEMBL1459161

SCHEMBL1459161

Cn1nc(-c2cccnc2)cc1-c1ccc2[nH]c(-c3ccccc3F)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37

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
SCHEMBL1460837 0.92 CYP19A1 (0.41) CYP19A1PIM1MMP2MMP13MMP14
SCHEMBL1463641 0.89 NPY5R (0.45) CYP19A1FFAR1KDM4EHPGDSMN1; SMN2
SCHEMBL1459773 0.89 CYP19A1 (0.43) CYP19A1MMP2MMP13MMP14CLK2
SCHEMBL1460011 0.88 NPY5R (0.44) CYP19A1PIM1FFAR1SMN1; SMN2MMP2
SCHEMBL1460078 0.88 FFAR1 (0.42) CYP19A1CDC7PIM1FFAR1KDM4E
SCHEMBL1459230 0.87 CYP19A1 (0.47) CYP19A1MMP2MMP13MMP14CLK2
SCHEMBL1459489 0.86 ROS1 (0.44) CYP19A1MMP2MMP13MMP14
SCHEMBL1459557 0.85 FFAR1 (0.42) CYP19A1FFAR1MMP2MMP13MMP14
SCHEMBL1460856 0.83 CYP19A1 (0.41) CYP19A1KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL1461179 0.80 MMP13 (0.43) CYP19A1PIM1ALDH1A1MMP2MMP13

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 11 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
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN 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
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 CYP19A1 1576/4885CDC7 1842/4885PIM1 1700/4885

“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.