SCHEMBL14630351

SCHEMBL14630351

CC(CNC(=O)OCc1ccccc1)c1nc(Br)c2c(N)nccn12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.58
▸ TNK2 Q07912 3/20 0.45
▸ IGF1R P08069 4/20 0.38
▸ MAPKAPK2 P49137 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ SRC P12931 1/20 0.36

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
SCHEMBL18849915 0.87 ATM (0.47) BTKTNK2ATM
SCHEMBL20550584 0.87 ATM (0.47) BTKTNK2ATM
SCHEMBL30468175 0.84 TNK2 (0.48) BTKTNK2IGF1RMAPKAPK2LMNA
SCHEMBL20550691 0.81 BTK (0.41) BTKTNK2IGF1RCTSSABL1
SCHEMBL18849710 0.81 BTK (0.41) BTKTNK2IGF1RCTSSABL1
SCHEMBL17899460 0.75 BTK (0.37) BTKTNK2IGF1RABL1SRC
SCHEMBL17800128 0.75 BTK (0.38) BTKTNK2IGF1RABL1SRC
SCHEMBL18849709 0.74 TNK2 (0.41) BTKTNK2ABL1SRC
SCHEMBL20550620 0.71 POLB (0.39) BTKCTSS
SCHEMBL28623986 0.71 BTK (0.42) BTKTNK2ABL1SRC

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 5 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-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 — — US disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 — — EP 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 (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-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885TNK2 188/4885IGF1R 1041/4885

“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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