SCHEMBL1710258

SCHEMBL1710258

COc1cccc2cnc(-c3c(F)cccc3F)nc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 13/20 0.53
MCHR1 Q99705 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HPGDS O60760 2/20 0.41
PDE10A Q9Y233 1/20 0.40
RPS6KA2 Q15349 1/20 0.39
NQO2 P16083 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
SCHEMBL12371974 0.80 MAP4K1 (0.44) MAP4K1
Hydrochloric Acid SCHEMBL28214494 0.78 MCHR1 (0.49) MCHR1JAK2JAK1TYK2JAK3
SCHEMBL1710604 0.77 MAP4K1 (0.39) MAP4K1
SCHEMBL1710267 0.76 METAP2 (0.42)
SCHEMBL3245836 0.75 L3MBTL1 (0.58)
SCHEMBL7747283 0.74 MCHR1 (0.51) MCHR1JAK2JAK1TYK2JAK3
SCHEMBL19970151 0.73 MAP4K1 (0.72) MAP4K1RPS6KA2
SCHEMBL1710374 0.72 HPGDS (0.42) MCHR1JAK2JAK1TYK2JAK3
SCHEMBL19948996 0.72 MAP4K1 (0.71) MAP4K1RPS6KA2
SCHEMBL558755 0.72 ALDH1A1 (0.50) MCHR1JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759338-B2 Heterocyclic kinase inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2344473-B1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2014-04-16 EP disclosed
EP-2344473-B1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2014-04-16 EP disclosed
US-20110195956-A1 Heterocyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195956-A1 Heterocyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195956-A1 Heterocyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
EP-2344473-A1 HETEROCYCLIC PIM-KINASE INHIBITORS Novartis AG (CH) 2011-07-20 EP disclosed
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 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-20110195956-A1 Heterocyclic Kinase Inhibitors PIM1, PIM2, PIM3 MAP4K1 37/4885MCHR1 3753/4885JAK2 13/4885

“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.