SCHEMBL3539902

SCHEMBL3539902

C#Cc1ccc(C)c(NC(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL8112591 0.85 PDK1 (0.51) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL3442075 0.83 MEN1 (0.40) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL3441915 0.81 CYP1A2 (0.54) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL3540242 0.80 SMN1; SMN2 (0.43) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL6314811 0.79 GAA (0.51) PDK1PDK2PDK3PDK4LMNA
SCHEMBL27985359 0.78 CYP1A2 (0.50) PDK1PDK2PDK3PDK4LMNA
SCHEMBL27723511 0.78 LOXL2 (0.35) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL2979786 0.78 CYP1A2 (0.55) L3MBTL1SMN1; SMN2LMNACYP1A2MEN1
SCHEMBL9824176 0.78 TSHR (0.47) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL3543982 0.76 ALDH1A1 (0.43) PDK1PDK2PDK3PDK4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP disclosed
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 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-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 PDK1 404/4885PDK2 513/4885PDK3 725/4885

“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.