SCHEMBL2789353

SCHEMBL2789353

FC(F)(F)c1cc(NC(=S)NCCCCCNc2cc(N3CCCC3)nc(N3CCCC3)n2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
MAPT P10636 2/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HTT P42858 3/20 0.41
RAD52 P43351 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
BRAF P15056 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
SLC6A3 Q01959 2/20 0.39
PYGL P06737 2/20 0.38
GALR2 O43603 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
SCHEMBL2771571 0.89 LMNA (0.46) LMNAMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL2772282 0.86 SMN1; SMN2 (0.45) LMNAMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL2773131 0.82 SLC6A3 (0.47) MAPTSMN1; SMN2BRAFNPSR1SLC6A3
Hydrochloric Acid SCHEMBL2774479 0.82 SLC6A3 (0.46) MAPTSMN1; SMN2BRAFNPSR1SLC6A3
SCHEMBL2774589 0.80 BRAF (0.46) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL2772326 0.79 HDAC1 (0.35) MAPTSMN1; SMN2HTTGAASLC6A3
SCHEMBL2772031 0.79 BRAF (0.47) LMNAMAPTALDH1A1SMN1; SMN2BRAF
Hydrochloric Acid SCHEMBL2790300 0.78 BRAF (0.46) LMNAMAPTALDH1A1SMN1; SMN2BRAF
Sulfuric Acid SCHEMBL2773915 0.78 BRAF (0.45) MAPTSMN1; SMN2MEN1KMT2ABRAF
SCHEMBL2772076 0.78 RAD52 (0.47) LMNAMAPTALDH1A1SMN1; SMN2HPGD

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
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 LMNA 4708/4885MAPT 4555/4885ALDH1A1 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.