SCHEMBL2772282

SCHEMBL2772282

S=C(NCCCCCNc1cc(N2CCCC2)nc(N2CCCC2)n1)Nc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 6/20 0.43
RAD52 P43351 5/20 0.43
HTT P42858 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GLA P06280 1/20 0.43
QPCT Q16769 1/20 0.43
GAA P10253 3/20 0.42
GBA1 P04062 1/20 0.42
MAPT P10636 2/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL2774607 0.88 CNR1 (0.49) SMN1; SMN2ALDH1A1HTTGAAGBA1
SCHEMBL2773495 0.87 LMNA (0.48) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL2774112 0.86 LMNA (0.47) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL2791558 0.86 LMNA (0.47) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL2789353 0.86 LMNA (0.47) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL2774074 0.85 LMNA (0.48) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL3476846 0.79 CASP1 (0.50) SMN1; SMN2LMNAALDH1A1KDM4EHTT
SCHEMBL2772135 0.79 KMT2A (0.52) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL2772076 0.78 RAD52 (0.47) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL2772283 0.77 KDM4E (0.47) SMN1; SMN2LMNAALDH1A1HPGDKDM4E

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 SMN1; SMN2 4818/4885LMNA 4708/4885ALDH1A1 2179/4885

“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.