Sugi Predict

Sugi Predict / Compounds / SCHEMBL1460075

SCHEMBL1460075

SCHEMBL1460075

CCn1nc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 2/20 0.39
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ PTGES O14684 4/20 0.35
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ AVPR1B P47901 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL1459830 0.88 NR1H3 (0.40) ORAI1ALDH1A1NR1H3PTGESCYP2D6
SCHEMBL1459769 0.86 ORAI1 (0.38) ORAI1NPC1ALDH1A1SMN1; SMN2PTGES
SCHEMBL1459694 0.82 NR1H3 (0.43) ALDH1A1NR1H3FFAR1NPY5RMAPK14
SCHEMBL1460201 0.82 MMP2 (0.41) ALDH1A1SMN1; SMN2NR1H3MAPK14CSNK1D
SCHEMBL1460032 0.79 HTR2C (0.37) PIM1PIM3PIM2
SCHEMBL1459585 0.78 GRM5 (0.41) ORAI1NPC1SMN1; SMN2NR1H3PTGES
SCHEMBL1459931 0.78 MMP2 (0.38) ORAI1SMN1; SMN2PTGESCYP2D6CYP2C9
SCHEMBL1459644 0.77 ORAI1 (0.41) ORAI1NPC1ALDH1A1SMN1; SMN2PTGES
SCHEMBL12745227 0.77 ORAI1 (0.41) ORAI1PTGESCYP2D6CYP2C9FFAR1
SCHEMBL1460055 0.77 ORAI1 (0.39) ORAI1NPC1ALDH1A1SMN1; SMN2PTGES

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ORAI1 1/4885NPC1 1299/4885ALDH1A1 1801/4885

“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.