SCHEMBL16299182

SCHEMBL16299182

CNc1ncc(C2c3[nH]c4ccc(Br)cc4c3CCN2C(=O)Oc2ccc(OS(=O)(=O)O)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
ABCG2 Q9UNQ0 10/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABCB1 P08183 7/20 0.39

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 0.91 TP53 (0.53) KIF11TP53MAPTABCG2SMN1; SMN2
SCHEMBL8404381 0.85 KIF11 (0.47) KIF11TP53MAPTABCG2SMN1; SMN2
SCHEMBL8403147 0.84 KIF11 (0.49) KIF11TP53MAPTABCG2
SCHEMBL8404438 0.81 ABCG2 (0.53) KIF11TP53MAPTABCG2SMN1; SMN2
SCHEMBL764051 0.80 TP53 (0.51) KIF11TP53MAPTABCG2SMN1; SMN2
SCHEMBL8402709 0.77 KIF11 (0.58) KIF11TP53MAPTABCG2ABCB1
SCHEMBL12978975 0.75 KIF11 (0.49) KIF11TP53MAPTABCG2SMN1; SMN2
SCHEMBL3344851 0.75 TP53 (0.59) KIF11TP53MAPTABCG2SMN1; SMN2
SCHEMBL9962250 0.75 TP53 (0.59) KIF11TP53MAPTABCG2SMN1; SMN2
SCHEMBL3344853 0.75 TP53 (0.59) KIF11TP53MAPTABCG2SMN1; SMN2

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-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 2890/4885TP53 61/4885MAPT 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.