SCHEMBL15219253

SCHEMBL15219253

Cc1cncc(OC2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.42
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
CHUK O15111 2/20 0.40
HRH1 P35367 1/20 0.40
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
KCNH2 Q12809 1/20 0.39
PRKCZ Q05513 2/20 0.39
ROCK1 Q13464 3/20 0.37
RPS6KA5 O75582 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
LCK P06239 1/20 0.36
SYK P43405 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 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
SCHEMBL15139652 0.90 CHRNB2 (0.47) PIM1CHUKPRKCZROCK1AKT1
SCHEMBL31656597 0.83 DYRK1A (0.35) PIM1PIM3PIM2PRKCZCHRNB2
SCHEMBL5585177 0.80 KDM4E (0.42) IKBKBPIM1PIM3PIM2CHUK
SCHEMBL21606997 0.80 SYK (0.44) IKBKBPIM1PIM3PIM2CHUK
SCHEMBL13619057 0.80 PIM1 (0.40) IKBKBPIM1PIM3PIM2CHUK
SCHEMBL11919289 0.80 PIM1 (0.40) IKBKBPIM1PIM3PIM2CHUK
SCHEMBL11916054 0.80 PIM1 (0.42) IKBKBPIM1PIM3PIM2CHUK
SCHEMBL4673396 0.77 BRD4 (0.48) IKBKBPIM1PIM2HRH1ROCK1
SCHEMBL30845430 0.77 BRD4 (0.48) IKBKBPIM1PIM2HRH1ROCK1
SCHEMBL15223501 0.76 TMEM97 (0.43) IKBKBCHUKHRH1ACVR1BTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 US disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 US disclosed
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY (RU) 2016-07-14 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 US 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 (9 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN IKBKB 2508/4885PIM1 3694/4885PIM3 3834/4885
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 IKBKB 687/4885PIM1 327/4885PIM3 284/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 IKBKB 572/4885PIM1 227/4885PIM3 245/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 IKBKB 545/4885PIM1 263/4885PIM3 247/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 IKBKB 665/4885PIM1 305/4885PIM3 254/4885
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES BRAF, CNKSR1, RAF1 IKBKB 53/4885PIM1 422/4885PIM3 629/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 IKBKB 487/4885PIM1 516/4885PIM3 438/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 IKBKB 687/4885PIM1 327/4885PIM3 284/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 IKBKB 687/4885PIM1 327/4885PIM3 284/4885

“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.