SCHEMBL2774589

SCHEMBL2774589

O=C(NCCOCCNc1cc(N2CCCC2)nc(N2CCCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.46
MAPT P10636 3/20 0.46
CASR P41180 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
RAF1 P04049 4/20 0.43
KDR P35968 1/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A3 Q01959 4/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK14 Q16539 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 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
SCHEMBL2772031 0.87 BRAF (0.47) BRAFMAPTCASRNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL2790300 0.86 BRAF (0.46) BRAFMAPTCASRNPSR1ALDH1A1
SCHEMBL2773131 0.86 SLC6A3 (0.47) BRAFMAPTCASRNPSR1RAF1
Hydrochloric Acid SCHEMBL2774479 0.85 SLC6A3 (0.46) BRAFMAPTCASRNPSR1RAF1
Sulfuric Acid SCHEMBL2773915 0.84 BRAF (0.45) BRAFMAPTCASRNPSR1RAF1
Cadaverine Tartrate SCHEMBL2791549 0.83 BRAF (0.43) BRAFMAPTCASRNPSR1RAF1
Citric Acid SCHEMBL2788451 0.81 BRAF (0.42) BRAFMAPTCASRNPSR1RAF1
SCHEMBL2814324 0.80 BRAF (0.40) BRAFMAPTCASRNPSR1ALDH1A1
SCHEMBL2789353 0.80 LMNA (0.47) BRAFMAPTNPSR1ALDH1A1HTT
SCHEMBL2771571 0.77 LMNA (0.46) BRAFMAPTNPSR1ALDH1A1HTT

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
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

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 BRAF 242/4885MAPT 4555/4885CASR 3122/4885

“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.