SCHEMBL800345

SCHEMBL800345

CCCn1nc(B2OC(C)(C)C(C)(C)O2)c2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RET P07949 1/20 0.35
LPL P06858 3/20 0.33
LIPG Q9Y5X9 3/20 0.33
PDE4D Q08499 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
GSK3B P49841 3/20 0.32
MEN1 O00255 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MAPT P10636 2/20 0.30
ELANE P08246 1/20 0.30
IDH1 O75874 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL20140173 0.79 PDE5A (0.48) MAPT
SCHEMBL20552850 0.73 L3MBTL1 (0.63) L3MBTL1CNR1CNR2RETPDE4D
SCHEMBL781799 0.72 L3MBTL1 (0.33) L3MBTL1LPLLIPGGSK3B
SCHEMBL30203974 0.72 L3MBTL1 (0.33) L3MBTL1LPLLIPGGSK3B
SCHEMBL21258642 0.69 USP30 (0.37) ELANE
SCHEMBL1895661 0.69 DYRK1A (0.44) GSK3BIDH1
SCHEMBL25757544 0.69 ELANE (0.47) L3MBTL1CNR1CNR2RETPDE4D
SCHEMBL1529947 0.67 LPL (0.40) LPLLIPG
SCHEMBL16009198 0.66 DDB1 (0.38) L3MBTL1CNR1CNR2LPLLIPG
SCHEMBL29960390 0.66 DDB1 (0.38) L3MBTL1CNR1CNR2LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067932-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-30 US disclosed
US-20130053395-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-28 US disclosed
US-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 L3MBTL1 3686/4885CNR1 2920/4885CNR2 2554/4885
US-20130053395-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 L3MBTL1 3686/4885CNR1 2920/4885CNR2 2554/4885

“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.