SCHEMBL14637434

SCHEMBL14637434

COC(=O)C1CCCc2c1cnn2C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GFER P55789 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.36
NOD1 Q9Y239 7/20 0.35
TNF P01375 6/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
NR2F2 P24468 3/20 0.35
NOD2 Q9HC29 2/20 0.35
GALR3 O60755 2/20 0.35
MEN1 O00255 1/20 0.35
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL14637660 0.84 SIGMAR1 (0.43) PLK1CSNK2A1PLK3SIGMAR1GFER
SCHEMBL3143484 0.82 PLK1 (0.49) PLK1CSNK2A1PLK3CNR2
SCHEMBL19643518 0.75 MAPK1 (0.35)
SCHEMBL24015507 0.74 NOD1 (0.48) GFERATMKMT2ANOD1TNF
SCHEMBL19656987 0.74 AHR (0.36) GFERKMT2AMEN1
SCHEMBL15905254 0.73 SIGMAR1 (0.44) PLK1CSNK2A1PLK3SIGMAR1GFER
SCHEMBL19656906 0.71 LMNA (0.35) RAB9ANPC1CNR2
SCHEMBL25587329 0.71 NOD1 (0.49) GFERATMKMT2ANOD1TNF
SCHEMBL4572408 0.71 SIGMAR1 (0.45) PLK1CSNK2A1PLK3SIGMAR1GFER
SCHEMBL22492369 0.71 F12 (0.43) KMT2AMEN1

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-2948431-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-03-13 EP disclosed
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-9446130-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-20 US disclosed
US-20150353565-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948431-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
WO-2014116504-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113942-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO 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

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-20150353565-A1 BTK INHIBITORS BTK, SYK, LYN PLK1 309/4885CSNK2A1 94/4885PLK3 1280/4885
US-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 PLK1 282/4885CSNK2A1 154/4885PLK3 1094/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 PLK1 280/4885CSNK2A1 153/4885PLK3 1072/4885

“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.