SCHEMBL5331005

SCHEMBL5331005

COc1ccc(C(=O)O)cc1Nc1ncnc2ccsc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 7/20 0.58
BRAF P15056 2/20 0.49
RAF1 P04049 1/20 0.49
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.45
PIP4K2C Q8TBX8 1/20 0.45
TNNI3K Q59H18 1/20 0.44
FADS1 O60427 1/20 0.43
EGFR P00533 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PIK3C2B O00750 1/20 0.42
PIK3C2G O75747 1/20 0.42

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
SCHEMBL5317160 0.82 MEN1 (0.55) CSNK2A1BRAFHPGDMAPTPIP4K2C
SCHEMBL5317272 0.82 HTT (0.54) BRAFRAF1PIP4K2CTNNI3KFADS1
SCHEMBL5463906 0.81 EGFR (0.49) BRAFPIP4K2CTNNI3KFADS1EGFR
SCHEMBL5314819 0.81 FADS1 (0.58) BRAFRAF1PIP4K2CTNNI3KFADS1
SCHEMBL5313425 0.79 HTT (0.56) CSNK2A1HPGDMAPTPIP4K2CFADS1
SCHEMBL5317150 0.79 EGFR (0.44) BRAFPIP4K2CTNNI3KFADS1EGFR
SCHEMBL5314602 0.79 ALDH1A1 (0.54) BRAFHPGDMAPTPIP4K2CTNNI3K
SCHEMBL5337350 0.79 EGFR (0.52) CSNK2A1HPGDMAPTFADS1EGFR
SCHEMBL5334636 0.77 EGFR (0.55) CSNK2A1PIP4K2CFADS1EGFR
SCHEMBL5333554 0.76 KMT2A (0.67) CSNK2A1HPGDMAPTFADS1EGFR

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
WO-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO claimed
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO claimed
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 US claimed
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 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-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, API5 CSNK2A1 2210/4885BRAF 455/4885RAF1 1162/4885

“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.