SCHEMBL17065613

SCHEMBL17065613

C=CS(=O)(=O)N1CC2CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.78
LYN P07948 4/20 0.64
LCK P06239 3/20 0.64
EGFR P00533 5/20 0.62
TEC P42680 4/20 0.61
BMX P51813 4/20 0.61
ITK Q08881 3/20 0.61
TXK P42681 2/20 0.61
FGFR2 P21802 2/20 0.61
ABL1 P00519 2/20 0.61
ERBB2 P04626 2/20 0.61
FYN P06241 2/20 0.61
YES1 P07947 2/20 0.61
HCK P08631 2/20 0.61
FGR P09769 2/20 0.61
SRC P12931 2/20 0.61
FER P16591 2/20 0.61
CSK P41240 2/20 0.61
BLK P51451 2/20 0.61
JAK3 P52333 2/20 0.61

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
SCHEMBL410178 0.89 BTK (0.91) BTKLYNLCKEGFRTEC
SCHEMBL410045 0.89 BTK (0.81) BTKLYNLCKEGFRTEC
SCHEMBL200315 0.87 BTK (1.00) BTKLYNLCKEGFRTEC
SCHEMBL15851231 0.87 BTK (1.00) BTKLYNLCKEGFRTEC
SCHEMBL17065632 0.85 BTK (0.79) BTKLYNLCKEGFRTEC
SCHEMBL17065707 0.85 BTK (0.65) BTKLYNLCKEGFRTEC
SCHEMBL18335352 0.84 BTK (0.65) BTKLYNLCKEGFRTEC
SCHEMBL17065747 0.82 BTK (0.71) BTKLYNLCKEGFRTEC
SCHEMBL18335275 0.82 BTK (0.86) BTKLYNLCKEGFRTEC
SCHEMBL30954855 0.82 BTK (0.73) BTKLYNLCKEGFRTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102579-B1 HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LTD (IN) 2019-04-10 EP claimed
US-9840509-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2017-12-12 US claimed
US-20160376277-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2016-12-29 US claimed
EP-3102579-A2 HETEROCYCLIC COMPOUNDS Cadila Healthcare Limited (IN) 2016-12-14 EP claimed
WO-2015132799-A2 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2015-09-11 WO claimed
EP-3102579-B1 HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LTD (IN) 2019-04-10 EP disclosed
US-9840509-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2017-12-12 US disclosed
US-9840509-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2017-12-12 US disclosed
US-9840509-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2017-12-12 US disclosed
US-20160376277-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2016-12-29 US disclosed
US-20160376277-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2016-12-29 US disclosed
EP-3102579-A2 HETEROCYCLIC COMPOUNDS Cadila Healthcare Limited (IN) 2016-12-14 EP disclosed
WO-2015132799-A2 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2015-09-11 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-20160376277-A1 NOVEL HETEROCYCLIC COMPOUNDS BTK, LYN, SYK BTK 1/4885LYN 2/4885LCK 4/4885

“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.