SCHEMBL44953

SCHEMBL44953

NC1CCN2CCCCC12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
SLC18A3 Q16572 3/20 0.41
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7343176 0.92 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL3076098 0.92
SCHEMBL495718 0.92 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL14393808 0.92 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL6909004 0.92 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL18821982 0.92
SCHEMBL11472496 0.92 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL20063736 0.90 TDP1 (0.43) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL1697382 0.90 TDP1 (0.48) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL20752154 0.90 TDP1 (0.48) TDP1CYP2D6MEN1KMT2ALMNA

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 EP claimed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 US claimed
US-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US claimed
EP-2778155-A1 2-aminopyridine derivatives useful as kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-09-17 EP claimed
US-8809335-B2 Pyrazolopyrimidine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US claimed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US claimed
US-8569337-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-29 US claimed
EP-2328896-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2013-10-23 EP claimed
US-8563576-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-22 US claimed
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 US claimed
EP-2318407-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2011-05-11 EP claimed
EP-2318408-A2 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2011-05-11 EP claimed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US claimed
WO-2010011772-A2 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 WO claimed
WO-2010011756-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 WO claimed
WO-2010011762-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 WO claimed
WO-2010011768-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 WO claimed
EP-2121613-A2 2-AMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals, Inc. (US) 2009-11-25 EP claimed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US claimed
WO-2008094992-A2 2-AMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 TDP1 768/4885CYP2D6 3113/4885MEN1 1427/4885
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA TDP1 577/4885CYP2D6 2454/4885MEN1 2222/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 TDP1 768/4885CYP2D6 3113/4885MEN1 1427/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 TDP1 768/4885CYP2D6 3113/4885MEN1 1427/4885

“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.