SCHEMBL14647398

SCHEMBL14647398

Nc1nccn2c(C3CCNCC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.82
LCK P06239 1/20 0.65
EGFR P00533 1/20 0.65
ERBB2 P04626 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
PTGS2 P35354 1/20 0.65
KDR P35968 1/20 0.65
TEC P42680 1/20 0.65
TXK P42681 1/20 0.65
BLK P51451 1/20 0.65
BMX P51813 1/20 0.65
JAK3 P52333 1/20 0.65
ITK Q08881 1/20 0.65
ERBB4 Q15303 1/20 0.65
GP6 Q9HCN6 1/20 0.65

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
SCHEMBL14630582 0.96 BTK (0.79) BTKLCKEGFRERBB2ADORA3
SCHEMBL14630589 0.96 BTK (0.79) BTKLCKEGFRERBB2ADORA3
SCHEMBL14630530 0.92 BTK (0.87) BTKEGFRERBB2ADORA3PTGS2
SCHEMBL14647334 0.91 BTK (0.85) BTKEGFRERBB2ADORA3PTGS2
SCHEMBL14631218 0.91 BTK (0.76) BTKLCKEGFRERBB2ADORA3
SCHEMBL14631224 0.91 BTK (0.76) BTKLCKEGFRERBB2ADORA3
SCHEMBL14631277 0.90 BTK (1.00) BTK
SCHEMBL14631282 0.90 BTK (1.00) BTK
SCHEMBL14630994 0.90 BTK (1.00) BTK
SCHEMBL22720826 0.87 BTK (0.69) BTKLCKEGFRERBB2ADORA3

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 1/4885LCK 5/4885EGFR 425/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 BTK 1/4885LCK 5/4885EGFR 482/4885

“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.