SCHEMBL2773799

SCHEMBL2773799

CN(CCNC(=S)Nc1ccc(C(C)(C)C)cc1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.48
GAA P10253 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
APAF1 O14727 2/20 0.48
RAD52 P43351 8/20 0.45
KDM4E B2RXH2 7/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.41
GBA1 P04062 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
PPP1CA P62136 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL2772663 0.92 RAD52 (0.45) HTTGAASMN1; SMN2MAPTAPAF1
SCHEMBL2772283 0.89 KDM4E (0.47) HTTGAASMN1; SMN2MAPTRAD52
SCHEMBL2773495 0.89 LMNA (0.48) HTTGAASMN1; SMN2MAPTRAD52
SCHEMBL2774351 0.89 KDM4E (0.47) HTTGAASMN1; SMN2MAPTRAD52
SCHEMBL2774112 0.89 LMNA (0.47) HTTGAASMN1; SMN2MAPTRAD52
Hydrochloric Acid SCHEMBL2791558 0.89 LMNA (0.47) HTTGAASMN1; SMN2MAPTRAD52
SCHEMBL3478434 0.88 GAA (0.53) HTTGAASMN1; SMN2MAPTAPAF1
SCHEMBL2772132 0.88 GALR2 (0.49) HTTGAASMN1; SMN2MAPTAPAF1
SCHEMBL2771006 0.88 RAD52 (0.45) HTTGAASMN1; SMN2MAPTRAD52
SCHEMBL2790739 0.88 RAD52 (0.45) HTTGAASMN1; SMN2MAPTRAD52

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 HTT 4753/4885GAA 1717/4885SMN1; SMN2 4818/4885

“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.