SCHEMBL8404381

SCHEMBL8404381

CNc1ncc(C2c3[nH]c4ccc(Br)cc4c3CCN2C(=O)Oc2ncccn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.47
ABCG2 Q9UNQ0 7/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 3/20 0.44
ABCB1 P08183 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL764740 0.88 TP53 (0.53) KIF11ABCG2MAPTTP53ABCB1
SCHEMBL8403147 0.87 KIF11 (0.49) KIF11ABCG2MAPTTP53
SCHEMBL16299182 0.85 KIF11 (0.43) KIF11ABCG2MAPTTP53ABCB1
SCHEMBL763990 0.81 KIF11 (0.43) KIF11ABCG2SMN1; SMN2
SCHEMBL8404438 0.78 ABCG2 (0.53) KIF11ABCG2MAPTTP53ABCB1
SCHEMBL8403151 0.77 KIF11 (0.51) KIF11ABCG2MAPTTP53ABCB1
SCHEMBL763752 0.77 KIF11 (0.58) KIF11ABCG2MAPTTP53ABCB1
SCHEMBL764051 0.76 TP53 (0.51) KIF11ABCG2MAPTTP53ABCB1
SCHEMBL8402709 0.76 KIF11 (0.58) KIF11ABCG2MAPTTP53ABCB1
SCHEMBL16299554 0.76 KIF11 (0.45) KIF11MAPTTP53

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-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 US disclosed
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 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-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 KIF11 2890/4885ABCG2 3386/4885MAPT 4190/4885

“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.