SCHEMBL2787353

SCHEMBL2787353

CN(CCNC(=O)Nc1ccc(Cl)cc1)CCNc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CNR2 P34972 1/20 0.45
FAAH O00519 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GBA1 P04062 1/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL2773951 0.91 CNR1 (0.45) CNR1MAPTALDH1A1HTTNPSR1
SCHEMBL2773495 0.89 LMNA (0.48) MAPTALDH1A1HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL2791558 0.88 LMNA (0.47) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL2774112 0.88 LMNA (0.47) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL2774074 0.87 LMNA (0.48) ALDH1A1HTTMEN1KMT2AGBA1
SCHEMBL2774607 0.87 CNR1 (0.49) CNR1MAPTALDH1A1HTTNPSR1
SCHEMBL2772031 0.87 BRAF (0.47) MAPTALDH1A1NPSR1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL2790300 0.86 BRAF (0.46) MAPTALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL2788465 0.85 GBA1 (0.37) CNR1MAPTALDH1A1HTTNPSR1
SCHEMBL2788469 0.85 GBA1 (0.37) CNR1MAPTALDH1A1HTTNPSR1

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 2 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

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 CNR1 4292/4885MAPT 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.