SCHEMBL15442425

SCHEMBL15442425

Cc1cn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 8/20 0.48
TLR1 Q15399 8/20 0.48
ALDH1A1 P00352 3/20 0.42
PDE7A Q13946 1/20 0.41
PDE3B Q13370 1/20 0.39
MAPK1 P28482 1/20 0.39
NR2E1 Q9Y466 1/20 0.39

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
SCHEMBL1617550 0.83 ALDH1A1 (0.47) TLR2TLR1ALDH1A1
SCHEMBL1616767 0.82 ALDH1A1 (0.49) TLR2TLR1ALDH1A1MAPK1
SCHEMBL16914028 0.81 TLR2 (0.48) TLR2TLR1ALDH1A1
SCHEMBL8475128 0.81 ALDH1A1 (0.50) TLR2TLR1ALDH1A1MAPK1
SCHEMBL23292585 0.80 TLR2 (0.49) TLR2TLR1ALDH1A1
SCHEMBL1616714 0.80 ALDH1A1 (0.47) TLR2TLR1ALDH1A1MAPK1
SCHEMBL8034073 0.80 TLR2 (0.49) TLR2TLR1ALDH1A1MAPK1
SCHEMBL16914219 0.80 TLR2 (0.44) TLR2TLR1ALDH1A1MAPK1
SCHEMBL16255769 0.79 NR2E1 (0.44) PDE3BNR2E1
SCHEMBL10153120 0.78 ALDH1A1 (0.49) TLR2TLR1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186247-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2021-03-03 EP disclosed
EP-3186247-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2021-03-03 EP disclosed
CN-106795152-B Protein kinase inhibitors 安斯达尔生物技术有限责任公司 2020-01-31 CN disclosed
EP-2880038-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2018-05-16 EP disclosed
EP-2880038-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2018-05-16 EP disclosed
EP-3186247-A1 PROTEIN KINASE INHIBITORS Astar Biotech LLC (US) 2017-07-05 EP disclosed
WO-2016029776-A1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2016-03-03 WO disclosed
WO-2016029776-A1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2016-03-03 WO disclosed
US-9174996-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2015-11-03 US disclosed
US-9174996-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2015-11-03 US disclosed
US-20140364436-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-12-11 US disclosed
US-20140364436-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-12-11 US disclosed
US-8859553-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2014-10-14 US disclosed
US-8859553-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2014-10-14 US disclosed
US-8859553-B2 Protein kinase inhibitors ASTAR BIOTECH LLC (US) 2014-10-14 US disclosed
WO-2014019338-A1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2014-02-06 WO disclosed
WO-2014019338-A1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2014-02-06 WO disclosed
US-20140031354-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-01-30 US disclosed
US-20140031354-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-01-30 US disclosed
US-20140031354-A1 Protein Kinase Inhibitors ASTAR BIOTECH LLC (US) 2014-01-30 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-20140364436-A1 Protein Kinase Inhibitors MAP3K9, MAP3K6, MAP3K8 TLR2 2979/4885TLR1 3820/4885ALDH1A1 4389/4885
US-20140031354-A1 Protein Kinase Inhibitors MAP3K1, MAP3K5, MAP3K7 TLR2 2834/4885TLR1 2793/4885ALDH1A1 3067/4885

“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.