Sugi Predict

Sugi Predict / Compounds / SCHEMBL1459934

SCHEMBL1459934

SCHEMBL1459934

CCn1nc(-c2cccnc2)cc1-c1ccc2[nH]c(-c3ccccc3C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ CYP19A1 P11511 3/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ HTR2C P28335 4/20 0.38
▸ TBXAS1 P24557 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ SYK P43405 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
SCHEMBL1460078 0.90 FFAR1 (0.42) MMP13MMP2MMP14FFAR1CYP19A1
SCHEMBL1459821 0.90 FFAR1 (0.42) MMP13MMP2MMP14FFAR1NPY5R
SCHEMBL1463641 0.87 NPY5R (0.45) MMP13MMP2MMP14FFAR1NPY5R
SCHEMBL1459710 0.83 CYP19A1 (0.41) MMP13MMP2MMP14CYP19A1IDO1
SCHEMBL1459931 0.79 MMP2 (0.38) MMP13MMP2MMP14FFAR1CYP19A1
SCHEMBL12745918 0.79 CLK2 (0.39) MMP13HTR2C
SCHEMBL15036344 0.79 CLK2 (0.38) NPY5RKITS1PR1HTR2CKDM4E
SCHEMBL15020878 0.79 CYP19A1 (0.40) NPY5RCYP19A1KITS1PR1HTR2C
SCHEMBL1459161 0.77 CYP19A1 (0.43) MMP13MMP2MMP14FFAR1CYP19A1
SCHEMBL1460011 0.77 NPY5R (0.44) MMP13MMP2MMP14FFAR1NPY5R

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 MMP13 4585/4885MMP2 4541/4885MMP14 4674/4885

“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.