SCHEMBL4244900

SCHEMBL4244900

COc1ccc2c(c1)CCNC2c1cc(Cl)cc(Cl)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 4/20 0.54
CA14 Q9ULX7 4/20 0.54
CA7 P43166 3/20 0.54
HTR2C P28335 3/20 0.47
KDM1A O60341 1/20 0.44
GID4 Q8IVV7 1/20 0.44
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4235823 0.90 CA1 (0.54) CA1CA2CA9CA14CA7
SCHEMBL4239697 0.89 CA1 (0.53) CA1CA2CA9CA14CA7
SCHEMBL5523066 0.86 CA1 (0.57) CA1CA2CA9CA14CA7
SCHEMBL4669532 0.82 CA1 (0.62) CA1CA2CA9CA14CA7
SCHEMBL4241492 0.79 CA1 (0.53) CA1CA2CA9CA14CA7
SCHEMBL28742350 0.79 CA1 (0.69) CA1CA2CA9CA14CA7
SCHEMBL4674453 0.75 KMT2A (0.71) CA1CA2CA9CA14CA7
SCHEMBL4242796 0.75 CA1 (0.60) CA1CA2CA9CA14CA7
SCHEMBL5513461 0.74 CA1 (0.58) CA1CA2CA9CA14CA7
SCHEMBL5520356 0.74 CA1 (0.58) CA1CA2CA9CA14CA7

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-20090099133-A1 Isoquinolines Derivatives as Igf-1R Inhibitors ANALYTECON S.A. (CH) 2009-04-16 US claimed

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-20090099133-A1 Isoquinolines Derivatives as Igf-1R Inhibitors IGF1R, IGFBP1, IGF2BP1 CA1 4832/4885CA2 4798/4885CA9 4870/4885

“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.