SCHEMBL16764330

SCHEMBL16764330

CC1C(N2CCCN(C)C2=O)CCCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.33
▸ EGFR P00533 2/20 0.33
▸ LCK P06239 2/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PLA2G7 Q13093 1/20 0.30

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
SCHEMBL16764472 0.93 JAK3 (0.34) JAK3EGFRLCKDPP4ALDH1A1
SCHEMBL20854587 0.78 PREP (0.48) —
SCHEMBL20986846 0.76 MEN1 (0.39) DPP4ALDH1A1
SCHEMBL16764831 0.75 ALDH1A1 (0.33) DPP4DPP8ALDH1A1MAPTSMN1; SMN2
SCHEMBL23573048 0.74 RIPK1 (0.33) JAK3LCKDPP4
SCHEMBL20854589 0.74 KCNH2 (0.41) SMN1; SMN2
SCHEMBL29145752 0.72 NPY5R (0.36) JAK3EGFRLCKNPY5RDPP4
SCHEMBL20986527 0.72 NPY5R (0.36) JAK3EGFRLCKNPY5RDPP4
SCHEMBL13455158 0.68 NPY5R (0.43) NPY5R
SCHEMBL401875 0.68 NPY5R (0.47) JAK3EGFRLCKNPY5RALDH1A1

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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — US disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 — — US disclosed
EP-3077388-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, LLC (US) 2016-10-12 — — EP disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 — — US disclosed
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 — — WO disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 — — 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 (3 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 53/4885EGFR 692/4885LCK 3/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 60/4885EGFR 700/4885LCK 3/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 60/4885EGFR 700/4885LCK 3/4885

“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.

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