SCHEMBL14630604

SCHEMBL14630604

CC1(C(=O)N2CCC(C3=C4C=NC=C[N+]4(N)C(c4ccc(C(=O)Nc5ccccn5)cc4)=N3)C2)COC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.56
KCNH2 Q12809 2/20 0.44
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
FRK P42685 1/20 0.41
BLK P51451 1/20 0.41
BMX P51813 1/20 0.41
PTK6 Q13882 1/20 0.41
ERBB4 Q15303 1/20 0.41
SRMS Q9H3Y6 1/20 0.41

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
SCHEMBL14636296 0.88 BTK (0.49) BTKKCNH2LCKLYNTEC
SCHEMBL14631267 0.88 BTK (0.57) BTKKCNH2LCKLYNTEC
SCHEMBL15914192 0.88 BTK (0.56) BTKKCNH2LCKLYNTEC
SCHEMBL14636899 0.88 BTK (0.56) BTKKCNH2LCKLYNTEC
SCHEMBL14630480 0.87 BTK (0.54) BTK
SCHEMBL14637061 0.87 BTK (0.50) BTKKCNH2LCKLYNTEC
SCHEMBL14636741 0.87 BTK (0.57) BTKKCNH2LCKLYNTEC
SCHEMBL15913905 0.86 BTK (0.49) BTKKCNH2LCKLYNTEC
SCHEMBL14637496 0.86 BTK (0.49) BTKKCNH2LCKLYNTEC
SCHEMBL14636979 0.86 BTK (0.48) BTKKCNH2LCKLYNTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US claimed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US claimed
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-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
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 1/4885KCNH2 2861/4885LCK 5/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885KCNH2 2735/4885LCK 5/4885

“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.