SCHEMBL763733

SCHEMBL763733

O=C(NC1CCCCC1)N1CCc2c([nH]c3ccc(Br)cc23)C1c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.55
ABCG2 Q9UNQ0 4/20 0.54
ABCB1 P08183 2/20 0.54
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.48
STAT3 P40763 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL764073 0.90 KIF11 (0.53) KIF11ABCG2ABCB1MAPTKDM4E
SCHEMBL764144 0.87 KIF11 (0.59) KIF11ABCG2ABCB1MAPTKDM4E
SCHEMBL8402736 0.84 KIF11 (0.64) KIF11ABCG2ABCB1MAPTKDM4E
SCHEMBL3577087 0.81 KIF11 (0.82) KIF11MAPTKDM4ELMNASTAT3
SCHEMBL8402783 0.80 TP53 (0.65) KIF11ABCG2ABCB1MAPTLMNA
SCHEMBL3346796 0.80 ABCG2 (0.49) KIF11ABCG2ABCB1MAPTKDM4E
SCHEMBL764577 0.80 KIF11 (0.59) KIF11ABCG2ABCB1MAPTKDM4E
SCHEMBL764645 0.79 KIF11 (0.53) KIF11ABCG2ABCB1MAPTKDM4E
SCHEMBL8402912 0.79 KIF11 (0.63) KIF11ABCG2ABCB1MAPTKDM4E
SCHEMBL16504185 0.79 KIF11 (0.58) KIF11ABCG2ABCB1MAPTKDM4E

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2010-06-24 US claimed
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO claimed
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8367694-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-05 US disclosed
US-8367694-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-05 US disclosed
EP-1737461-B1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2012-12-12 EP disclosed
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
US-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis PTC THERAPEUTICS, INC. (US) 2009-09-10 US disclosed
WO-2008127714-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2007-11-01 US disclosed
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2007-11-01 US disclosed
WO-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 WO 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 (6 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-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES RNMT, VEGFA, VHL KIF11 2503/4885ABCG2 4594/4885ABCB1 1453/4885
US-20070254878-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 KIF11 2495/4885ABCG2 3195/4885ABCB1 1109/4885
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 KIF11 2890/4885ABCG2 3386/4885ABCB1 1360/4885
US-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis VEGFA, FLT4, KDR KIF11 3727/4885ABCG2 3816/4885ABCB1 3642/4885
US-20130171103-A1 METHODS FOR TREATING VIRAL CONDITIONS EIF2AK2, POLRMT, POLM KIF11 2855/4885ABCG2 4448/4885ABCB1 4335/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF KIF11 3352/4885ABCG2 1872/4885ABCB1 2343/4885

“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.