SCHEMBL2770822

SCHEMBL2770822

CN(CCNc1cc(N2CCCC2)nc(N2CCCC2)n1)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.41
GALR2 O43603 1/20 0.40
KDM4E B2RXH2 3/20 0.40
BRAF P15056 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
IDH2 P48735 1/20 0.39
PTGES O14684 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2772288 0.91 CASP1 (0.44) LMNAMAPTGALR2KDM4EHTR7
SCHEMBL3477427 0.83 RAF1 (0.49) MAPTBRAFALDH1A1GAAPOLB
SCHEMBL2771524 0.80 KMT2A (0.50) THRBLMNAMAPTKDM4EALDH1A1
SCHEMBL2788424 0.79 RAF1 (0.39) MAPTGALR2KDM4EBRAFIDH2
SCHEMBL3475816 0.78 HRH4 (0.46) THRBLMNAMAPTNPSR1GALR2
SCHEMBL3476638 0.77 GAA (0.45) LMNAMAPTKDM4EBRAFGAA
SCHEMBL3478434 0.75 GAA (0.53) LMNAMAPTNPSR1GALR2KDM4E
SCHEMBL3475710 0.75 CXCR4 (0.41) GALR2IDH2CASP1CASP4CASP5
SCHEMBL2772663 0.73 RAD52 (0.45) LMNAMAPTGALR2KDM4EALDH1A1
SCHEMBL2773622 0.73 HRH4 (0.44) THRBLMNAMAPTNPSR1GALR2

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 THRB 1941/4885LMNA 4708/4885MAPT 4555/4885

“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.