SCHEMBL1463768

SCHEMBL1463768

Cc1nnc(-c2ccncc2-c2ccc3[nH]c(-c4c(F)cccc4Cl)cc3c2)o1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.41
MAPT P10636 1/20 0.35
RPS6KA3 P51812 4/20 0.35
LRRK2 Q5S007 1/20 0.35
PTGES O14684 4/20 0.35
CYP2C9 P11712 2/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GUSB P08236 2/20 0.33
MMP13 P45452 1/20 0.33
DGAT1 O75907 1/20 0.33
METAP2 P50579 1/20 0.33
F3 P13726 1/20 0.33

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
SCHEMBL1462822 0.90 ORAI1 (0.42) ORAI1MAPTLRRK2PTGESCYP2C9
SCHEMBL1459966 0.83 ORAI1 (0.51) ORAI1MAPTLRRK2PTGESCYP2C9
Cyanide SCHEMBL27862347 0.83 ORAI1 (0.49) ORAI1PTGESCYP2C9CLK2CLK3
SCHEMBL1460101 0.74 ORAI1 (0.59) ORAI1PTGESCYP2C9
SCHEMBL1462823 0.73 ORAI1 (0.41) ORAI1MAPTPTGESCYP2C9METAP2
SCHEMBL1459911 0.73 ORAI1 (0.58) ORAI1PTGESCYP2C9
SCHEMBL1460901 0.73 ORAI1 (0.47) ORAI1PTGESCYP2C9
SCHEMBL1459495 0.73 ORAI1 (0.44) ORAI1PTGESCYP2C9
SCHEMBL12825958 0.72 ORAI1 (0.57) ORAI1MAPTPTGESCYP2C9KDM4E
SCHEMBL1464317 0.72 ORAI1 (0.55) ORAI1PTGESCYP2C9

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 1/4885MAPT 2068/4885RPS6KA3 1552/4885

“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.