SCHEMBL14596983

SCHEMBL14596983

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.60
▸ CA2 P00918 6/20 0.60
▸ CA9 Q16790 6/20 0.60
▸ CA12 O43570 5/20 0.60
▸ PTPN7 P35236 2/20 0.52
▸ HTR1A P08908 12/20 0.49
▸ HTR1D P28221 12/20 0.49
▸ HTR1B P28222 12/20 0.49
▸ HTR2A P28223 4/20 0.48
▸ HTR2C P28335 4/20 0.48
▸ HTR6 P50406 4/20 0.48
▸ HTR7 P34969 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN5 P54829 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46

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
SCHEMBL5452315 0.91 HTR1A (0.49) CA1CA2CA9CA12HTR1A
SCHEMBL14596943 0.90 HTR1A (0.49) CA1CA2CA9CA12HTR1A
SCHEMBL14596946 0.88 HTR1A (0.47) CA1CA2CA9CA12HTR1A
SCHEMBL14596964 0.88 HTR1A (0.49) CA1CA2CA9CA12HTR1A
SCHEMBL14596944 0.88 HTR1A (0.47) CA1CA2CA9CA12HTR1A
SCHEMBL14596950 0.88 HTR1A (0.47) CA1CA2CA9CA12HTR1A
SCHEMBL14596940 0.88 HTR1A (0.49) CA1CA2CA9CA12HTR1A
SCHEMBL14596942 0.88 HTR1A (0.47) CA1CA2CA9CA12HTR1A
SCHEMBL14596986 0.88 HTR1A (0.60) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL14596931 0.87 LMNA (0.57) CA1CA2CA9CA12PTPN7

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-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 — — 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A CA1 3416/4885CA2 4522/4885CA9 4511/4885

“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.

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