SCHEMBL2772271

SCHEMBL2772271

CN(CCNC(=S)Nc1cccc([N+](=O)[O-])c1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAD52 P43351 3/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
APAF1 O14727 1/20 0.43
NSD2 O96028 1/20 0.43
GAA P10253 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2773174 0.91 KMT2A (0.49) ALDH1A1MAPTTHRBALOX12SMN1; SMN2
SCHEMBL2772967 0.87 KMT2A (0.46) ALDH1A1MAPTTHRBSMN1; SMN2LMNA
SCHEMBL2774140 0.86 RAD52 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL2772559 0.83 KDM4E (0.43) ALDH1A1MAPTLMNAKDM4ERAD52
SCHEMBL2790273 0.82 MAPT (0.43) ALDH1A1MAPTTHRBSMN1; SMN2LMNA
SCHEMBL2772076 0.82 RAD52 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL2774380 0.82 RAD52 (0.47) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL2773495 0.81 LMNA (0.48) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL2772283 0.81 KDM4E (0.47) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL2774351 0.81 KDM4E (0.47) ALDH1A1MAPTHPGDSMN1; SMN2LMNA

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 ALDH1A1 2179/4885MAPT 4555/4885THRB 1941/4885

“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.