SCHEMBL5315968

SCHEMBL5315968

COc1ccc(CNc2ncnc3cc(I)sc23)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 20/20 0.56
CYP3A4 P08684 20/20 0.56
CYP2C19 P33261 18/20 0.56
CYP2D6 P10635 17/20 0.56
CLK4 Q9HAZ1 15/20 0.56
ALDH1A1 P00352 14/20 0.56
HSD17B10 Q99714 13/20 0.56
TSHR P16473 13/20 0.56
CYP2C9 P11712 12/20 0.56
LMNA P02545 10/20 0.54
USP2 O75604 11/20 0.53
HIF1A Q16665 7/20 0.53
ALOX15 P16050 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 8/20 0.52
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5334075 0.91 LMNA (0.55) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL5472059 0.84 MEN1 (0.58) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL5344442 0.80 STAT1 (0.57) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL5334395 0.79 EGFR (0.51) ALDH1A1HSD17B10LMNAUSP2MEN1
Hydrochloric Acid SCHEMBL5467058 0.78 EGFR (0.50) ALDH1A1HSD17B10LMNAUSP2MEN1
SCHEMBL4866306 0.77 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL30402747 0.76 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL15542062 0.76 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL28954011 0.75 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL1584878 0.75 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19CYP2D6CLK4

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-20070099941-A1 N-arylalkyl-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
WO-2007056208-A2 N-ARYLALKYL-THIENOPYRIMIDIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed
US-20070099941-A1 N-arylalkyl-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-20070099941-A1 N-arylalkyl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP3, CASP4 CYP1A2 795/4885CYP3A4 601/4885CYP2C19 2139/4885

“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.