SCHEMBL13547876

SCHEMBL13547876

C=C(C)n1ccc2cc(N)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.55
BRPF1 P55201 2/20 0.42
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
CSNK1A1 P48729 1/20 0.41
GSK3A P49840 1/20 0.41
LIMK1 P53667 1/20 0.41
IKBKE Q14164 1/20 0.41
MAPK14 Q16539 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NOTUM Q6P988 1/20 0.37
NTSR1 P30989 1/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RAD52 P43351 1/20 0.35
ALDH1A1 P00352 4/20 0.34

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
SCHEMBL853076 0.82 NOTUM (0.58) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL4959132 0.76 PRKCI (0.52) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL13598508 0.76 PRKCI (0.52) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL5101602 0.75 PRKCI (0.50) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL617201 0.75 PRKCI (0.50) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL7483288 0.72 PRKCI (0.47) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL312329 0.71 PIK3CD (0.51) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL30006940 0.71 PRKCI (1.00) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL721707 0.71 PRKCI (1.00) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL20022021 0.70 TFPI2 (0.47) NOTUMCYP11B1CYP11B2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 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-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 PRKCI 1629/4885BRPF1 1437/4885CHEK1 4490/4885

“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.