SCHEMBL2773440

SCHEMBL2773440

CN(CCNc1cc(N2CCCC2)nc(N2CCCC2)n1)CCN(C(N)=S)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.40
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GPBAR1 Q8TDU6 3/20 0.36
ERG P11308 2/20 0.36
FPR2 P25090 1/20 0.35
MAPT P10636 7/20 0.35
APAF1 O14727 6/20 0.35
GAA P10253 6/20 0.35
SENP7 Q9BQF6 5/20 0.35
SENP6 Q9GZR1 5/20 0.35
SENP8 Q96LD8 2/20 0.35
PPP1CA P62136 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2774430 0.91 MAPT (0.40) HRH4MAPTAPAF1GAASENP7
SCHEMBL2771590 0.90 HRH4 (0.38) HRH4ESR1ESR2FPR2MAPT
SCHEMBL2774620 0.89 HRH4 (0.38) HRH4ESR1ESR2MAPTAPAF1
SCHEMBL2773159 0.88 MAPT (0.35) HRH4MAPTAPAF1GAASENP7
SCHEMBL2772675 0.88 GAA (0.46) HRH4MAPTAPAF1GAASENP7
SCHEMBL2771555 0.88 MAPT (0.47) HRH4MAPTAPAF1GAASENP7
SCHEMBL2771103 0.88 HRH4 (0.38) HRH4ESR1ESR2MAPTAPAF1
SCHEMBL2770979 0.86 HRH4 (0.38) HRH4MAPTAPAF1GAASENP7
SCHEMBL2772066 0.86 MAPT (0.49) HRH4MAPTAPAF1GAASENP7
SCHEMBL2772831 0.86 GALR2 (0.41) HRH4MAPTAPAF1GAASENP7

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 3 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 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 HRH4 2711/4885ESR1 3630/4885ESR2 3278/4885

“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.