SCHEMBL14630510

SCHEMBL14630510

CCN(CC)c1nc(Br)c2c(N)nccn12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.48
▸ TNK2 Q07912 4/20 0.35
▸ TLR7 Q9NYK1 3/20 0.34
▸ SRC P12931 2/20 0.33
▸ ABL1 P00519 2/20 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
SCHEMBL14647439 0.84 BTK (0.47) BTKTNK2TLR7SRCABL1
SCHEMBL14637033 0.77 BTK (0.36) BTKTNK2SRC
SCHEMBL23111989 0.77 TNK2 (0.51) BTKTNK2TLR7SRCABL1
SCHEMBL23044547 0.74 BTK (0.48) BTKTNK2SRCABL1
SCHEMBL3540179 0.74 NUDT1 (0.36) BTKTNK2TLR7SRCABL1
SCHEMBL31391151 0.72 ABL1 (0.43) BTKTNK2SRCABL1
SCHEMBL1129368 0.71 NUDT1 (0.34) BTKTNK2SRCABL1
SCHEMBL18099733 0.71 ABL1 (0.53) BTKTNK2TLR7SRCABL1
SCHEMBL31330632 0.71 TNK2 (0.51) BTKTNK2TLR7SRCABL1
SCHEMBL31330580 0.71 TNK2 (0.40) BTKTNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 — — EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 — — US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 — — US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 — — US disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 — — WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 — — EP 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 (2 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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TNK2 203/4885TLR7 916/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TNK2 188/4885TLR7 1022/4885

“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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