SCHEMBL3300624

SCHEMBL3300624

CCOC(=O)c1ncc(C(F)(F)F)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
HDAC4 P56524 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
FOS P01100 2/20 0.40
JUN P05412 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40

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
SCHEMBL20711411 0.87 HPGD (0.44) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL5879520 0.79 ALDH1A1 (0.50) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL128677 0.79 CDC7 (0.46) KDM4EMAPTMEN1KMT2ACDC7
SCHEMBL16933028 0.77 CDC7 (0.60) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL128676 0.76 CDC7 (0.48) KDM4EMAPTMEN1KMT2ACDC7
SCHEMBL1641657 0.76 CDC7 (0.44) KDM4EMAPTMEN1KMT2ACDC7
SCHEMBL10272646 0.76 ALDH1A1 (0.46) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL19556249 0.75 CDC7 (0.41) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL528192 0.75 HCAR2 (0.55) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL1808673 0.75 MAPT (0.44) KDM4EMAPTMEN1KMT2ACDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045008-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B KDM4E 3628/4885HDAC4 4142/4885HDAC6 3363/4885

“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.