SCHEMBL4906472

SCHEMBL4906472

CSc1nc(O)c2c(n1)COC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL29588176 0.84 CYP1A2 (0.36) CYP1A2CYP2C19
SCHEMBL5441880 0.81 KDM4E (0.33) CYP1A2CYP2C19KDM4EALDH1A1CYP3A4
SCHEMBL4899939 0.78 HTR2A (0.38) CYP1A2CYP2C19KDM4EALDH1A1CYP3A4
SCHEMBL4908625 0.76 KMT2A (0.43) CYP1A2CYP2C19KDM4EALDH1A1MAPT
SCHEMBL4907322 0.75
SCHEMBL13777930 0.72 KMT2A (0.46) CYP1A2CYP2C19KDM4EALDH1A1MAPT
SCHEMBL4911163 0.70 KDM4E (0.31) KDM4EMAPT
SCHEMBL18701483 0.70 GBA1 (0.31) CYP1A2CYP2C19KDM4EALDH1A1CYP3A4
SCHEMBL18343108 0.67 TNKS2 (0.32) KDM4E
SCHEMBL9048605 0.66 MAPK1 (0.36) MAPK1

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 5 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 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 CYP1A2 876/4885CYP2C19 890/4885KDM4E 1533/4885

“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.