SCHEMBL13696261

SCHEMBL13696261

CN1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.62
ABCG2 Q9UNQ0 3/20 0.53
ESR1 P03372 3/20 0.50
PGR P06401 2/20 0.50
HTR2A P28223 4/20 0.47
HTR2C P28335 4/20 0.47
HTR2B P41595 2/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DHODH Q02127 1/20 0.44
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL764556 0.86 ABCG2 (0.55) KIF11ABCG2ESR1PGRHTR2A
SCHEMBL8404354 0.86 ABCG2 (0.55) KIF11ABCG2ESR1PGRHTR2A
SCHEMBL764129 0.84 ABCG2 (0.63) KIF11ABCG2LMNASMN1; SMN2NPSR1
SCHEMBL23875887 0.83 ESR1 (0.69) KIF11ABCG2ESR1PGRLMNA
SCHEMBL13049423 0.82 KIF11 (0.66) KIF11ABCG2HTR2AHTR2CHTR2B
SCHEMBL764693 0.80 ABCG2 (0.58) KIF11ABCG2LMNASMN1; SMN2NPSR1
SCHEMBL765137 0.78 ABCG2 (0.56) KIF11ABCG2LMNASMN1; SMN2
SCHEMBL22238476 0.78 KIF11 (0.60) KIF11ESR1PGRHTR2AHTR2C
SCHEMBL3576710 0.78 KIF11 (0.75) KIF11ABCG2LMNA
SCHEMBL13725757 0.77 ABCG2 (0.54) KIF11ABCG2LMNASMN1; SMN2NPSR1

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-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis PTC THERAPEUTICS, INC. (US) 2009-09-10 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

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-20090227618-A2 Carboline Derivatives Useful in the Inhibition of Angiogenesis VEGFA, FLT4, KDR KIF11 3727/4885ABCG2 3816/4885ESR1 3911/4885
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 1872/4885ESR1 3414/4885

“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.