SCHEMBL17065652

SCHEMBL17065652

CN(C)CC=CC(=O)N1CC2CC(n3nc(-c4ccc(C(=O)Nc5ccccc5)cc4)c4c(N)ncnc43)CC2C1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.64
BTK Q06187 14/20 0.63
ITK Q08881 7/20 0.63
LCK P06239 5/20 0.63
FGFR2 P21802 1/20 0.50

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
SCHEMBL17065649 1.00 EGFR (0.64) EGFRBTKITKLCKFGFR2
SCHEMBL18335298 0.94 BTK (0.61) EGFRBTKITKLCK
SCHEMBL17065669 0.94 BTK (0.61) EGFRBTKITKLCK
SCHEMBL17065668 0.91 BTK (0.77) EGFRBTKITKLCKFGFR2
SCHEMBL17065670 0.91 BTK (0.59) EGFRBTKITKLCK
SCHEMBL17065673 0.91 BTK (0.77) EGFRBTKITKLCKFGFR2
SCHEMBL17065663 0.88 BTK (0.64) EGFRBTKITKLCKFGFR2
SCHEMBL17065664 0.88 BTK (0.64) EGFRBTKITKLCKFGFR2
SCHEMBL17065778 0.87 BTK (0.63) EGFRBTKITKLCKFGFR2
SCHEMBL17065717 0.87 BTK (0.63) EGFRBTKITKLCKFGFR2

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
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
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

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 EGFR 425/4885BTK 1/4885ITK 175/4885

“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.