SCHEMBL781799

SCHEMBL781799

CC1(C)OB(c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ncccc23)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
GSK3B P49841 1/20 0.31

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
SCHEMBL30203974 1.00 L3MBTL1 (0.33) L3MBTL1LPLLIPGGSK3B
SCHEMBL9940899 0.81 KDM4E (0.32) L3MBTL1LPLLIPG
SCHEMBL9940965 0.81 LIPE (0.31) LPLLIPG
SCHEMBL293085 0.75 LIPE (0.32) LPLLIPG
SCHEMBL31540060 0.73 MAPK1 (0.36) GSK3B
SCHEMBL800345 0.72 L3MBTL1 (0.36) L3MBTL1LPLLIPGGSK3B
SCHEMBL9940661 0.72 L3MBTL1 (0.36) L3MBTL1
SCHEMBL30204143 0.72 L3MBTL1 (0.36) L3MBTL1
SCHEMBL31540030 0.71 MAPK1 (0.32)
SCHEMBL31540027 0.71 GABRP (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528917-B1 PYRAZOLOPYRIDINES USEFUL FOR THE TREATMENT OF AUTOIMMUNE, INFLAMMATORY OR (HYPER)PROLIFERATIVE DISEASES VERTEX PHARMA (US) 2016-10-19 EP disclosed
US-9067932-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-30 US disclosed
US-8871774-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-8871774-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-8871774-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-20140005192-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
US-20130053395-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-28 US disclosed
EP-2528917-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2012-12-05 EP disclosed
EP-2528916-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2012-12-05 EP disclosed
US-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
WO-2011094283-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-04 WO disclosed
WO-2011094273-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-04 WO 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 (3 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-20140005192-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 L3MBTL1 4589/4885LPL 1973/4885LIPG 1845/4885
US-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 L3MBTL1 3686/4885LPL 2973/4885LIPG 2722/4885
US-20130053395-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 L3MBTL1 3686/4885LPL 2973/4885LIPG 2722/4885

“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.