SCHEMBL2790779

SCHEMBL2790779

CN(CCNC(=S)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
KDM4E B2RXH2 4/20 0.43
RAD52 P43351 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
APAF1 O14727 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38

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
SCHEMBL2772198 0.98 CA1 (0.47) CA1CA2CA9KDM4ERAD52
SCHEMBL2772352 0.90 KMT2A (0.44) CA1CA2CA9KDM4ERAD52
SCHEMBL2771203 0.90 RAD52 (0.43) CA1CA2CA9KDM4ERAD52
SCHEMBL2773620 0.87 CA1 (0.52) CA1CA2CA9KDM4ERAD52
SCHEMBL2772768 0.86 GAA (0.49) KDM4ERAD52LMNAHTTKMT2A
SCHEMBL2786919 0.86 RAD52 (0.42) CA1CA2CA9KDM4ERAD52
SCHEMBL2771207 0.85 SMN1; SMN2 (0.48) KDM4ERAD52LMNAHTTKMT2A
SCHEMBL2772283 0.84 KDM4E (0.47) KDM4ERAD52LMNAHTTKMT2A
SCHEMBL2773495 0.84 LMNA (0.48) KDM4ERAD52LMNAHTTKMT2A
SCHEMBL2774351 0.84 KDM4E (0.47) KDM4ERAD52LMNAHTTKMT2A

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-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-06-03 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-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE CDC25A, CDC25B, CDC25C CA1 2513/4885CA2 1445/4885CA9 3929/4885

“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.