SCHEMBL4904846

SCHEMBL4904846

Cc1cc(Nc2nc(S(C)(=O)=O)nc3c2COC3)[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.33
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 1/20 0.32
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30

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
SCHEMBL4909730 0.83 IGF1R (0.43)
SCHEMBL14214189 0.81 ROCK2 (0.34) ROCK2ROCK1
SCHEMBL4909409 0.79 ROCK2 (0.33) ROCK2ROCK1
SCHEMBL2957179 0.74 LMNA (0.30)
SCHEMBL4906869 0.74 ROCK2 (0.46) BRD4ROCK2ROCK1BRD2BRD3
SCHEMBL3665109 0.72 NPC1 (0.40)
SCHEMBL63682 0.69 AURKA (0.46)
SCHEMBL4908688 0.68 AURKB (0.53)
SCHEMBL4907625 0.68 SMN1; SMN2 (0.36)
SCHEMBL2205962 0.68 AURKA (0.44)

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-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 US claimed
WO-2008021456-A2 N-ARYL-5,7-DIHYDROFURO[3,4-D]PYRIMIDIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-02-21 WO claimed
US-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 US disclosed
US-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYNTOVIA, INC. (US) 2008-05-15 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-20080113946-A1 N-aryl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, API5, CASP5 BRD4 586/4885ROCK2 3024/4885ROCK1 2088/4885

“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.