SCHEMBL2789360

SCHEMBL2789360

CN(CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 5/20 0.52
MAPT P10636 5/20 0.52
GAA P10253 5/20 0.52
SENP7 Q9BQF6 4/20 0.52
SENP6 Q9GZR1 4/20 0.52
SENP8 Q96LD8 2/20 0.52
PPP1CA P62136 2/20 0.52
CASP1 P29466 1/20 0.51
CASP4 P49662 1/20 0.51
CASP5 P51878 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NSD2 O96028 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
SAE1 Q9UBE0 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
SCHEMBL3476026 0.86 MAPT (0.64) APAF1MAPTGAASENP7SENP6
SCHEMBL3477427 0.84 RAF1 (0.49) APAF1MAPTGAASENP7SENP6
SCHEMBL3477405 0.84 GAA (0.46) APAF1MAPTGAASENP7SENP6
SCHEMBL3476243 0.84 MAPT (0.46) APAF1MAPTGAASENP7SENP6
SCHEMBL3477418 0.83 CA9 (0.54) APAF1MAPTGAASENP7SENP6
SCHEMBL2773055 0.83 SENP6 (0.49) APAF1MAPTGAASENP7SENP6
SCHEMBL3475711 0.82 GAA (0.44) APAF1MAPTGAASENP7SENP6
SCHEMBL3476638 0.82 GAA (0.45) APAF1MAPTGAASENP7SENP6
SCHEMBL3477758 0.81 MAPT (0.47) APAF1MAPTGAASENP7SENP6
SCHEMBL2773552 0.81 HTR1A (0.47) APAF1MAPTGAASENP7SENP6

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 6 patents. 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 claimed
EP-2152675-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-02-17 EP claimed
WO-2008152223-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2008-12-18 WO claimed
US-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-06-03 US disclosed
EP-2152675-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-02-17 EP disclosed
WO-2008152223-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2008-12-18 WO 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 APAF1 1883/4885MAPT 4555/4885GAA 1717/4885

“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.