SCHEMBL2773552

SCHEMBL2773552

CN(CCNC(=O)c1cnc2ccccc2n1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
APAF1 O14727 2/20 0.41
MAPT P10636 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
GAA P10253 1/20 0.41
PPP1CA P62136 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 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
SCHEMBL2789360 0.81 APAF1 (0.52) APAF1MAPTSENP7SENP6GAA
SCHEMBL3477429 0.79 APAF1 (0.43) APAF1MAPTSENP7SENP6GAA
SCHEMBL3475816 0.79 HRH4 (0.46) APAF1MAPTSENP7SENP6GAA
SCHEMBL2773055 0.79 SENP6 (0.49) APAF1MAPTSENP7SENP6GAA
SCHEMBL3476026 0.78 MAPT (0.64) APAF1MAPTSENP7SENP6GAA
SCHEMBL2774055 0.78 MAPT (0.43) APAF1MAPTSENP7SENP6GAA
SCHEMBL3474881 0.77 CYP2C19 (0.49) APAF1MAPTSENP7SENP6GAA
SCHEMBL2773175 0.77 DRD2 (0.44) APAF1MAPTSENP7SENP6GAA
SCHEMBL3477405 0.77 GAA (0.46) NPC1RAB9AAPAF1MAPTSENP7
SCHEMBL3477427 0.77 RAF1 (0.49) APAF1MAPTSENP7SENP6GAA

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 HTR1A 4129/4885NPC1 4816/4885RAB9A 2438/4885

“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.