Sugi Predict

Sugi Predict / Compounds / SCHEMBL2583587

SCHEMBL2583587

SCHEMBL2583587

NCC1CCN(CC(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.46
▸ CXCR4 P61073 1/20 0.40
▸ DCPS Q96C86 1/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ NR1H2 P55055 2/20 0.32
▸ NR1H3 Q13133 2/20 0.32
▸ DRD2 P14416 1/20 0.30
▸ PLG P00747 1/20 0.30
▸ PLAT P00750 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGDS O60760 2/20 0.30
▸ JAK1 P23458 2/20 0.30
▸ BPTF Q12830 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PRMT3 O60678 1/20 0.30

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
SCHEMBL9688315 0.88 NCF1 (0.39) NCF1CXCR4DCPSKDM1ANR1H2
SCHEMBL22727531 0.80 KDM1A (0.37) DCPSKDM1ANR1H2NR1H3HPGDS
SCHEMBL7137670 0.79 NCF1 (0.48) NCF1CXCR4PRMT3CARM1PRMT6
SCHEMBL5889431 0.78 NCF1 (0.52) NCF1CXCR4PLGPLATLMNA
SCHEMBL10271094 0.78 KDM1A (0.36) DCPSKDM1ANR1H2NR1H3HPGDS
SCHEMBL15352547 0.78 DCPS (0.37) DCPSKDM1ANR1H2NR1H3HPGDS
SCHEMBL459481 0.77 GNAI3 (0.39) DCPSKDM1ADRD2HPGDSJAK1
SCHEMBL24914252 0.77 HRH3 (0.38) DCPSKDM1ANR1H2NR1H3DRD2
SCHEMBL15846086 0.77 ACHE (0.36) DCPSKDM1ANR1H2NR1H3HPGDS
SCHEMBL19220878 0.77 KDM1A (0.36) DCPSKDM1ANR1H2NR1H3HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 — — WO disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 — — WO disclosed
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2022-05-05 — — US disclosed
US-20200131153-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2020-04-30 — — US disclosed
EP-3178818-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2019-05-22 — — EP disclosed
US-20180127397-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2018-05-10 — — US disclosed
US-9850228-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2017-12-26 — — US disclosed
EP-3178818-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2017-06-14 — — EP disclosed
EP-2563775-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-01-04 — — EP disclosed
US-20160311800-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2016-10-27 — — US disclosed
US-9464071-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-10-11 — — US disclosed
US-20150105368-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-04-16 — — US disclosed
US-8895601-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-11-25 — — US disclosed
US-20130072457-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2013-03-21 — — US disclosed
EP-2563775-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2013-03-06 — — EP disclosed
WO-2011135376-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-11-03 — — WO disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 — — EP disclosed
US-6451804-B1 Heteroalkylamino-substituted bicyclic nitrogen heterocycles SYNTEX (U.S.A.) LLC 2002-09-17 — — US disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 — — EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 — — 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 (6 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-20200131153-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 NCF1 2039/4885CXCR4 1945/4885DCPS 1795/4885
US-20130072457-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS MAP3K5, MAP3K1, MAP4K2 NCF1 1819/4885CXCR4 1684/4885DCPS 2337/4885
US-20150105368-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 NCF1 2039/4885CXCR4 1945/4885DCPS 1795/4885
US-20180127397-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 NCF1 2039/4885CXCR4 1945/4885DCPS 1795/4885
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 NCF1 2039/4885CXCR4 1945/4885DCPS 1795/4885
US-20160311800-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 NCF1 2039/4885CXCR4 1945/4885DCPS 1795/4885

“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.