SCHEMBL2772121

SCHEMBL2772121

CN(CCNC(=O)Nc1cccs1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 7/20 0.39
APAF1 O14727 4/20 0.39
SENP7 Q9BQF6 3/20 0.39
SENP6 Q9GZR1 3/20 0.39
SENP8 Q96LD8 2/20 0.39
PPP1CA P62136 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PKM P14618 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 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
SCHEMBL2774055 0.82 MAPT (0.43) MAPTALDH1A1GAAAPAF1SENP7
SCHEMBL2787353 0.82 CNR1 (0.46) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL2773055 0.81 SENP6 (0.49) MAPTALDH1A1GAAAPAF1SENP7
SCHEMBL2773951 0.81 CNR1 (0.45) MAPTALDH1A1GAAAPAF1SENP7
SCHEMBL2791335 0.81 MAPT (0.44) MAPTALDH1A1GAAAPAF1SENP7
SCHEMBL2788290 0.80 MAPT (0.39) MAPTALDH1A1GAAAPAF1SENP7
SCHEMBL3475816 0.80 HRH4 (0.46) MAPTALDH1A1GAAAPAF1SENP7
SCHEMBL2772654 0.79 KMT2A (0.41) MAPTALDH1A1GAAAPAF1SENP7
SCHEMBL2775659 0.78 MAPT (0.39) MAPTALDH1A1GAAAPAF1SENP7
SCHEMBL2772122 0.78 HPGD (0.44) MAPTALDH1A1GAAAPAF1SENP7

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 MAPT 4555/4885ALDH1A1 2179/4885GAA 1717/4885

“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.