SCHEMBL3201414

SCHEMBL3201414

NS(=O)(=O)c1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 1.00
NTRK3 Q16288 6/20 1.00
NTRK2 Q16620 6/20 1.00
FYN P06241 9/20 0.60
PIM1 P11309 1/20 0.57
MKNK1 Q9BUB5 1/20 0.53
JAK2 O60674 1/20 0.52
ABL1 P00519 1/20 0.52
INSR P06213 1/20 0.52
LCK P06239 1/20 0.52
CSF1R P07333 1/20 0.52
LYN P07948 1/20 0.52
RET P07949 1/20 0.52
IGF1R P08069 1/20 0.52
MET P08581 1/20 0.52
ROS1 P08922 1/20 0.52
PDGFRB P09619 1/20 0.52
FGR P09769 1/20 0.52
KIT P10721 1/20 0.52
SRC P12931 1/20 0.52

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
SCHEMBL3210730 0.85 NTRK1 (0.75) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL13223334 0.84 NTRK1 (0.79) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL1051240 0.83 FYN (0.71) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL1054219 0.83 PIM1 (0.71) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL13234539 0.83 NTRK1 (0.70) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL3196558 0.82 NTRK1 (1.00) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL3021153 0.82 NTRK1 (0.69) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL2949572 0.82 NTRK1 (0.69) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL2940443 0.81 NTRK1 (0.68) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL2945213 0.81 NTRK1 (0.68) NTRK1NTRK3NTRK2FYNPIM1

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
US-20100041662-A1 Heterocyclic compounds as antiinflammatory agents FERRAND SANDRINE 2010-02-18 US claimed
CN-101522682-A Heterocyclic compounds as anti-inflammatory agents NOVARTIS AG (CH) 2009-09-02 CN claimed
EP-2089393-A1 HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS Novartis AG (CH) 2009-08-19 EP claimed
WO-2008052734-A1 HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS NOVARTIS AG (CH) 2008-05-08 WO claimed
US-20100041662-A1 Heterocyclic compounds as antiinflammatory agents FERRAND SANDRINE 2010-02-18 US disclosed
CN-101522682-A Heterocyclic compounds as anti-inflammatory agents NOVARTIS AG (CH) 2009-09-02 CN disclosed
EP-2089393-A1 HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS Novartis AG (CH) 2009-08-19 EP disclosed
WO-2008052734-A1 HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS NOVARTIS AG (CH) 2008-05-08 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 (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-20100041662-A1 Heterocyclic compounds as antiinflammatory agents JAK2, IRAK4, ALK NTRK1 201/4885NTRK3 67/4885NTRK2 115/4885

“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.