SCHEMBL2773827

SCHEMBL2773827

CN(CCCN)CCCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT5A Q9NQR1 3/20 0.41
GLA P06280 1/20 0.40
SENP6 Q9GZR1 8/20 0.39
SENP7 Q9BQF6 7/20 0.39
APAF1 O14727 6/20 0.39
MAPT P10636 6/20 0.39
GAA P10253 5/20 0.39
SENP8 Q96LD8 4/20 0.39
PPP1CA P62136 1/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
NUDT1 P36639 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
NSD2 O96028 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL2773622 0.88 HRH4 (0.44) HRH4ALDH1A1GLASENP6SENP7
SCHEMBL2775160 0.87 HRH4 (0.43) HRH4SENP6SENP7APAF1MAPT
SCHEMBL3475816 0.86 HRH4 (0.46) HRH4ALDH1A1GLASENP6SENP7
SCHEMBL2772133 0.86 HRH4 (0.42) HRH4ALDH1A1GLASENP6SENP7
SCHEMBL2785735 0.85 KMT5A (0.51) HRH4ALDH1A1KMT5ASENP6SENP7
SCHEMBL2773991 0.82 CXCR4 (0.50) HRH4SENP6SENP7APAF1MAPT
SCHEMBL2787221 0.82 KMT5A (0.54) ALDH1A1KMT5ASENP6SENP7APAF1
SCHEMBL3476846 0.81 CASP1 (0.50) HRH4ALDH1A1SENP6SENP7APAF1
SCHEMBL2775667 0.78 SENP6 (0.41) HRH4ALDH1A1GLASENP6SENP7
SCHEMBL3476221 0.78 SENP6 (0.41) HRH4SENP6SENP7APAF1MAPT

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 4 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

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 HRH4 2711/4885ALDH1A1 2179/4885KMT5A 2664/4885

“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.