SCHEMBL2185604

SCHEMBL2185604

O=S(=O)(Oc1ccnc2ccc(-c3cccc(-c4nccs4)n3)cc12)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
SYK P43405 8/20 0.34
RAB9A P51151 1/20 0.34
SCN9A Q15858 2/20 0.33
HSP90AA1 P07900 1/20 0.33
SRC P12931 3/20 0.32
ZAP70 P43403 3/20 0.32
CDK2 P24941 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
SLC6A9 P48067 1/20 0.32
AR P10275 1/20 0.32
KAT6A Q92794 1/20 0.32

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
SCHEMBL12367287 0.87 SYK (0.39) MCL1SYKRAB9AHSP90AA1SRC
SCHEMBL2184767 0.83 PIM1 (0.37) PIM1PIM3PIM2
SCHEMBL2184852 0.79 SYK (0.48) MCL1SYKRAB9A
SCHEMBL12391437 0.77 HPGD (0.37) SYKRAB9AHSP90AA1SRCZAP70
SCHEMBL2185432 0.76 RAB9A (0.43) MCL1SYKRAB9AHSP90AA1SRC
SCHEMBL2185136 0.75 RAB9A (0.40) SYKRAB9AHSP90AA1SRCZAP70
SCHEMBL23872996 0.74 TGFBR1 (0.57)
SCHEMBL27843181 0.73 RAB9A (0.40) MCL1SYKRAB9AHSP90AA1SRC
SCHEMBL591544 0.71 IDO1 (0.45)
SCHEMBL22492353 0.70 GAK (0.44) SCN9ACDK2PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
EP-2342190-A1 BICYCLIC KINASE INHIBITORS Novartis AG (CH) 2011-07-13 EP disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2010026121-A1 BICYCLIC 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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 MCL1 32/4885SYK 552/4885RAB9A 3490/4885

“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.