SCHEMBL2773174

SCHEMBL2773174

CN(CCNC(=S)Nc1ccc([N+](=O)[O-])cc1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.49
MAPT P10636 10/20 0.49
LMNA P02545 8/20 0.49
MEN1 O00255 8/20 0.49
KDM4E B2RXH2 4/20 0.49
APAF1 O14727 2/20 0.49
NSD2 O96028 2/20 0.49
GAA P10253 2/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
SAE1 Q9UBE0 2/20 0.49
UBA2 Q9UBT2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
HTT P42858 9/20 0.44
ALDH1A1 P00352 9/20 0.44

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
SCHEMBL2772967 0.95 KMT2A (0.46) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL2772271 0.91 ALDH1A1 (0.46) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL3476944 0.89 MAPT (0.54) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL2772283 0.87 KDM4E (0.47) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL2774351 0.87 KDM4E (0.47) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL2773495 0.87 LMNA (0.48) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL2773620 0.87 CA1 (0.52) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL2774112 0.86 LMNA (0.47) KMT2AMAPTLMNAMEN1KDM4E
Hydrochloric Acid SCHEMBL2791558 0.86 LMNA (0.47) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL2771203 0.86 RAD52 (0.43) KMT2ALMNAMEN1KDM4EHTT

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 KMT2A 2507/4885MAPT 4555/4885LMNA 4708/4885

“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.