SCHEMBL4906869

SCHEMBL4906869

Cc1cc(Nc2nc(N3CCN(C)CC3)nc3c2COC3)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.46
IGF1R P08069 6/20 0.42
ROCK1 Q13464 1/20 0.41
HTR2A P28223 6/20 0.40
HTR2C P28335 6/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
BRD4 O60885 4/20 0.39
INSR P06213 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 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
SCHEMBL4907639 0.83 HTR2A (0.42) ROCK2IGF1RROCK1HTR2AHTR2C
SCHEMBL14214189 0.78 ROCK2 (0.34) ROCK2ROCK1
SCHEMBL4909409 0.76 ROCK2 (0.33) ROCK2ROCK1
SCHEMBL786855 0.75 HRH4 (0.65) HTR2AHTR2CHRH4
SCHEMBL4904846 0.74 BRD4 (0.33) ROCK2ROCK1BRD4BRD2BRD3
SCHEMBL786651 0.67 HTR2A (0.59) HTR2ANPSR1HRH4
SCHEMBL786532 0.67 IGF1R (0.44) ROCK2IGF1RHTR2AHTR2CINSR
SCHEMBL12841132 0.66 IGF1R (0.40) IGF1RINSR
SCHEMBL16540739 0.65 IGF1R (0.83) IGF1RINSR
SCHEMBL786361 0.65 PAK4 (0.65) HTR2AHTR2CNPSR1HRH4

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
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
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 ROCK2 3024/4885IGF1R 1146/4885ROCK1 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.