SCHEMBL14596972

SCHEMBL14596972

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.48
▸ HTR6 P50406 5/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ AURKA O14965 2/20 0.47
▸ KIT P10721 2/20 0.47
▸ HTR1A P08908 6/20 0.46
▸ HTR1D P28221 6/20 0.46
▸ HTR1B P28222 6/20 0.46
▸ HTR2A P28223 3/20 0.45
▸ HTR2C P28335 3/20 0.45
▸ HTR7 P34969 3/20 0.45

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
SCHEMBL14596959 0.92 HTR6 (0.46) HTR6KMT2AKDM4EALDH1A1MEN1
SCHEMBL14596978 0.92 KDM4E (0.47) RXFP1HTR6KMT2AKDM4EALDH1A1
SCHEMBL14596968 0.92 HTT (0.52) RXFP1HTR6KMT2AKDM4EALDH1A1
SCHEMBL14596975 0.90 HTR6 (0.49) HTR6KMT2AKDM4EALDH1A1MEN1
SCHEMBL14596932 0.89 HTR6 (0.55) HTR6KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14596945 0.88 MEN1 (0.48) HTR6KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14596933 0.88 HTT (0.51) HTR6KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14596931 0.88 LMNA (0.57) HTR6KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14596943 0.87 HTR1A (0.49) HTR6KMT2AKDM4EALDH1A1MEN1
SCHEMBL14596944 0.87 HTR1A (0.47) HTR6KMT2AKDM4EALDH1A1MEN1

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 RXFP1 249/4885HTR6 14/4885KMT2A 1271/4885

“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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