SCHEMBL18335275

SCHEMBL18335275

C=CC(=O)N1CCC2CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2C1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.86
EGFR P00533 7/20 0.83
TEC P42680 3/20 0.79
BMX P51813 3/20 0.79
TXK P42681 2/20 0.79
LYN P07948 2/20 0.79
FGFR2 P21802 2/20 0.79
ITK Q08881 2/20 0.79
NUDT5 Q9UKK9 2/20 0.79
RIPK2 O43353 1/20 0.79
NR1I2 O75469 1/20 0.79
SLC22A3 O75751 1/20 0.79
LATS1 O95835 1/20 0.79
NUDT14 O95848 1/20 0.79
ABL1 P00519 1/20 0.79
ERBB2 P04626 1/20 0.79
LCK P06239 1/20 0.79
FYN P06241 1/20 0.79
PGR P06401 1/20 0.79
CSF1R P07333 1/20 0.79

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
SCHEMBL17065632 0.94 BTK (0.79) BTKEGFRTECBMXTXK
SCHEMBL201548 0.93 BTK (1.00) BTKEGFRTECBMXTXK
SCHEMBL200392 0.93 BTK (1.00) BTKEGFRTECBMXTXK
SCHEMBL200391 0.93 BTK (1.00) BTKEGFRTECBMXTXK
SCHEMBL18335270 0.91 BTK (0.77) BTKEGFRTECBMXTXK
SCHEMBL202187 0.91 BTK (1.00) BTKEGFRTECBMXTXK
SCHEMBL18335282 0.89 BTK (0.75) BTKEGFRTECBMXTXK
Ibrutinib SCHEMBL201641 0.88 BTK (1.00) BTKEGFRTECBMXTXK
Ibrutinib SCHEMBL201859 0.88 BTK (1.00) BTKEGFRTECBMXTXK
Ibrutinib SCHEMBL201642 0.88 BTK (1.00) BTKEGFRTECBMXTXK

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 9 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-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

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 1/4885EGFR 425/4885TEC 7/4885

“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.