SCHEMBL1463770

SCHEMBL1463770

Cc1ccnc(-c2nnco2)c1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.43
PTGES O14684 4/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
CYP1A1 P04798 1/20 0.34
FFAR1 O14842 2/20 0.33
CYP2C9 P11712 2/20 0.33
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TLR8 Q9NR97 1/20 0.32
CYP2D6 P10635 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
METAP2 P50579 1/20 0.32
NOTUM Q6P988 4/20 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
SCHEMBL1460152 0.83 ORAI1 (0.50) ORAI1PTGESCYP1A1FFAR1CYP2C9
SCHEMBL1459495 0.83 ORAI1 (0.44) ORAI1PTGESCYP1A1CYP2C9RAB9A
SCHEMBL1462823 0.82 ORAI1 (0.41) ORAI1PTGESFFAR1CYP2C9CYP2D6
SCHEMBL1460901 0.76 ORAI1 (0.47) ORAI1PTGESGRIA1CACNG8FFAR1
SCHEMBL12825958 0.74 ORAI1 (0.57) ORAI1PTGESGRIA1CACNG8CYP1A1
SCHEMBL1458844 0.74 ORAI1 (0.39) ORAI1PTGESFFAR1CYP2C9KDM4E
SCHEMBL1460101 0.73 ORAI1 (0.59) ORAI1PTGESGRIA1CACNG8CYP1A1
SCHEMBL1459966 0.72 ORAI1 (0.51) ORAI1PTGESFFAR1CYP2C9KDM4E
Cyanide SCHEMBL27862347 0.71 ORAI1 (0.49) ORAI1PTGESFFAR1CYP2C9CYP2D6
SCHEMBL1462822 0.70 ORAI1 (0.42) ORAI1PTGESCYP2C9KDM4ENPSR1

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 1 patent. 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

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 1/4885PTGES 963/4885GRIA1 366/4885

“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.