SCHEMBL7764671

SCHEMBL7764671

CSc1nc2c(c(SC)n1)COCC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
WNT3A P56704 10/20 0.35
TNKS2 Q9H2K2 10/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
PDK1 Q15118 1/20 0.34
POLB P06746 1/20 0.31

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
SCHEMBL16648387 0.83 WNT3A (0.38) CYP1A2CYP2C19WNT3ATNKS2KDM4E
SCHEMBL16637692 0.81 HTR2A (0.38) CYP1A2CYP2C19WNT3ATNKS2PDK1
SCHEMBL29588176 0.81 CYP1A2 (0.36) CYP1A2CYP2C19WNT3ATNKS2PDK1
SCHEMBL29903126 0.70 CYP1A2 (0.37) CYP1A2CYP2C19WNT3ATNKS2
SCHEMBL20584210 0.69 PPARG (0.44) TNKS2ALDH1A1ALOX15TSHR
SCHEMBL17986449 0.66 TNKS2 (0.57) WNT3ATNKS2ALDH1A1
SCHEMBL2708822 0.66 ATM (0.35) KDM4E
SCHEMBL16916019 0.66 ACHE (0.40) KDM4EALDH1A1ALOX15TSHRPOLB
SCHEMBL18343108 0.65 TNKS2 (0.32) WNT3ATNKS2KDM4EPDK1
SCHEMBL4906472 0.64 CYP1A2 (0.35) CYP1A2CYP2C19KDM4EALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
WO-2010151601-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-29 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR CYP1A2 1319/4885CYP2C19 1136/4885WNT3A 2464/4885

“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.