SCHEMBL5329628

SCHEMBL5329628

COc1ccc(Nc2ncnc3ccsc23)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
EGFR P00533 5/20 0.64
CLK1 P49759 3/20 0.64
ABCG2 Q9UNQ0 2/20 0.64
LCK P06239 1/20 0.62
FADS1 O60427 1/20 0.57
PIP4K2C Q8TBX8 1/20 0.56
FLT1 P17948 1/20 0.56
DYRK1A Q13627 2/20 0.53
DYRK1B Q9Y463 1/20 0.53
MAPT P10636 2/20 0.52
RET P07949 1/20 0.52
KIF5B P33176 1/20 0.52
KDR P35968 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL5468355 0.99 EGFR (0.64) MEN1KMT2AEGFRCLK1ABCG2
SCHEMBL5313058 0.87 EGFR (0.66) EGFRLCKFADS1PIP4K2CDYRK1A
SCHEMBL7892367 0.87 ABCG2 (0.53) MEN1KMT2AEGFRCLK1ABCG2
Hydrochloric Acid SCHEMBL7892323 0.86 ABCG2 (0.52) MEN1KMT2AEGFRCLK1ABCG2
Hydrochloric Acid SCHEMBL5463170 0.86 EGFR (0.65) EGFRLCKFADS1PIP4K2CDYRK1A
SCHEMBL5468539 0.82 PIP4K2C (0.64) MEN1KMT2AEGFRCLK1LCK
SCHEMBL5463906 0.82 EGFR (0.49) MEN1KMT2AEGFRCLK1ABCG2
SCHEMBL7122741 0.81 PIP4K2C (0.62) MEN1KMT2AEGFRCLK1LCK
SCHEMBL5314379 0.81 EGFR (0.56) MEN1KMT2AEGFRCLK1ABCG2
Hydrochloric Acid SCHEMBL5467050 0.81 PIP4K2C (0.62) MEN1KMT2AEGFRCLK1LCK

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
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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US disclosed
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 (2 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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 MEN1 1674/4885KMT2A 2940/4885EGFR 1334/4885
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 MEN1 1984/4885KMT2A 3038/4885EGFR 1226/4885

“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.