SCHEMBL4909133

SCHEMBL4909133

COc1cc(Nc2nc(SC)nc3c2COC3)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
MAPT P10636 6/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SYK P43405 1/20 0.36
LMNA P02545 4/20 0.35
TP53 P04637 2/20 0.35
ZAP70 P43403 1/20 0.35
EPAS1 Q99814 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL4899946 0.84 POLB (0.42) MAPTLMNATP53ZAP70POLB
SCHEMBL4910014 0.83 KARS1 (0.44) KARS1KITPDGFRAROCK2ROCK1
SCHEMBL14183614 0.80 EPAS1 (0.37) MAPTKDM4ESYKLMNATP53
SCHEMBL4911116 0.78 KDM4E (0.39) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4904160 0.76 EGFR (0.48) KARS1KITPDGFRAROCK2ROCK1
SCHEMBL4909409 0.72 ROCK2 (0.33) ROCK2ROCK1
SCHEMBL7418748 0.68 KMT2A (0.48) MAPTALDH1A1HPGDSYKLMNA
SCHEMBL13859331 0.68 CA1 (0.57) MAPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL13859053 0.68 KDM4E (0.44) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13859256 0.67 ZAP70 (0.56) KARS1SYKZAP70

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-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
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 disclosed
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 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 KARS1 1512/4885KIT 254/4885PDGFRA 114/4885

“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.