SCHEMBL8404346

SCHEMBL8404346

CNC(=S)N1CCc2c([nH]c3ccc(C)cc23)C1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.66
ABCG2 Q9UNQ0 2/20 0.54
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
ABCB1 P08183 1/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL8404345 0.88 KIF11 (0.72) KIF11ABCG2LMNATP53ABCB1
SCHEMBL8404344 0.84 KIF11 (0.81) KIF11ABCG2LMNATP53ABCB1
SCHEMBL8402610 0.83 KIF11 (0.72) KIF11ABCG2LMNATP53ABCB1
SCHEMBL9961948 0.83 KIF11 (0.72) KIF11ABCG2LMNATP53ABCB1
SCHEMBL1120736 0.80 KIF11 (0.77) KIF11ABCG2LMNATP53
SCHEMBL3564179 0.80 KIF11 (1.00) KIF11LMNA
SCHEMBL16299589 0.80 KIF11 (0.69) KIF11ABCG2LMNATP53ABCB1
SCHEMBL763487 0.78 KIF11 (0.51) KIF11ABCG2LMNATP53ABCB1
SCHEMBL9961949 0.77 KIF11 (0.63) KIF11ABCG2LMNATP53MAPT
SCHEMBL9961950 0.77 KIF11 (0.63) KIF11ABCG2LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 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 (2 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-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 KIF11 2890/4885ABCG2 3386/4885LMNA 2964/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF KIF11 3253/4885ABCG2 3580/4885LMNA 4374/4885

“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.