SCHEMBL355779

SCHEMBL355779

CN(C)C(=O)c1ccc(O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.47
HSP90AA1 P07900 3/20 0.47
KMT2A Q03164 2/20 0.43
PDK4 Q16654 6/20 0.43
PDK1 Q15118 4/20 0.43
PDK3 Q15120 3/20 0.43
HSP90AB1 P08238 2/20 0.43
CES2 O00748 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ESRRG P62508 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MIF P14174 1/20 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
SCHEMBL17993989 0.85 ESRRG (0.39) PDK2HSP90AA1KMT2APDK4PDK1
SCHEMBL642910 0.82 CES2 (0.61) PDK2KMT2ACES2L3MBTL1NPC1
SCHEMBL23003420 0.82 PDK2 (0.42) PDK2HSP90AA1KMT2APDK4PDK1
SCHEMBL2735675 0.81 PDK2 (0.46) PDK2KMT2ACES2ALDH1A1SMN1; SMN2
SCHEMBL11576641 0.80 PDK2 (0.68) PDK2HSP90AA1KMT2APDK4PDK1
SCHEMBL646187 0.79 DGAT1 (0.59) KMT2ACES2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL21516873 0.79 MAP2K1 (0.52) KMT2ACES2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19454401 0.79 KMT2A (0.42) PDK2HSP90AA1KMT2APDK4PDK1
SCHEMBL356822 0.79 KMT2A (0.42) KMT2ACES2CYP3A4CYP2C9ALDH1A1
SCHEMBL6880901 0.78 PDK2 (0.53) PDK2HSP90AA1KMT2APDK4PDK1

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
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 PDK2 2241/4885HSP90AA1 3008/4885KMT2A 2953/4885

“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.