SCHEMBL6505960

SCHEMBL6505960

N#Cc1cccc(-c2ccc(O)c(-c3nc4cc(C#N)ccc4[nH]3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.44
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
CHEK2 O96017 1/20 0.42
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
AMY1A P0DUB6 1/20 0.41
ABL1 P00519 1/20 0.41
PIN1 Q13526 1/20 0.40
F7 P08709 2/20 0.40
AR P10275 1/20 0.40
KLKB1 P03952 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CYP19A1 P11511 1/20 0.39
USP30 Q70CQ3 1/20 0.39
MAPK10 P53779 1/20 0.39
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6061845 0.91 RHEB (0.50) RHEBCHEK2PKN1PKN2AMY1A
SCHEMBL20982453 0.82 RHEB (0.52) RHEBXDHCHEK2PKN1PKN2
SCHEMBL6061276 0.81 RHEB (0.49) RHEBCHEK2PKN1PKN2AMY1A
SCHEMBL6061802 0.80 RHEB (0.57) RHEBCHEK2PKN1PKN2PIN1
SCHEMBL8412123 0.77 RHEB (0.59) RHEBCHEK2PKN1PKN2METAP2
SCHEMBL28267390 0.76 CHEK2 (0.61) RHEBCHEK2PKN1PKN2METAP2
SCHEMBL31154120 0.76 MEN1 (0.57) RHEBXDHPKN1PKN2PIN1
SCHEMBL6508250 0.74 RHEB (0.47) RHEBCHEK2PKN1PKN2AMY1A
SCHEMBL22955340 0.74 MAPK10 (0.52) RHEBCHEK2PKN1PKN2AR
SCHEMBL5428770 0.74 RHEB (0.52) RHEBCHEK2PKN1PKN2METAP2

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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 RHEB 412/4885XDH 736/4885SLC22A12 2457/4885

“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.