SCHEMBL6904489

SCHEMBL6904489

c1c[nH]c(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
JAK3 P52333 1/20 0.42
POLB P06746 2/20 0.40
CHEK1 O14757 1/20 0.40
PDPK1 O15530 1/20 0.40
MAPK1 P28482 1/20 0.40
PAK1 Q13153 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIM1 P11309 1/20 0.39
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3R1 P27986 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL300491 0.81 ALOX15 (0.41) TP53JAK3MAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL9200760 0.79 ALOX15 (0.39) TP53JAK3MAPK1HTTSMN1; SMN2
SCHEMBL311710 0.79 BCHE (0.42) TP53JAK3MAPK1HTTSMN1; SMN2
SCHEMBL3096843 0.78 KDM4E (0.48) ALOX15KDM4E
Hydrochloric Acid SCHEMBL29375122 0.78 BCHE (0.41) TP53JAK3HTTSMN1; SMN2MEN1
SCHEMBL4456263 0.76 KDM4E (0.47) KDM4E
SCHEMBL6840293 0.76 NPC1 (0.41) HTTPIM1MEN1KMT2AGAA
SCHEMBL21047581 0.74 HIPK2 (0.42) SMN1; SMN2ALOX15LMNAHIPK2
SCHEMBL14858605 0.74 LMNA (0.47) JAK3POLBCHEK1PDPK1MAPK1
SCHEMBL6281359 0.73 AKT2 (0.49) CHEK1MEN1TSHRKMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663416-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT CORTECH INC. 1997-09-02 US claimed
WO-2021114091-A1 HOMOGENEOUS CATALYST AND HETEROGENEOUS CATALYST BASED ON IONIC LIQUID, AND PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳化工大学 2021-06-17 WO disclosed
CN-111804331-A Homogeneous catalyst and heterogeneous catalyst based on ionic liquid, and preparation method and application thereof 沈阳化工大学 2020-10-23 CN disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
US-20140221374-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-08-07 US disclosed
WO-2012125981-A2 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2012-09-20 WO disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed
US-6743937-B2 WATER SOLUBILITY; ANGIOGENESIS INHIBITOR, ANTICANCER AGENTS OXIGENE, INC. 2004-06-01 US disclosed
WO-1995003998-A1 WATER CONTROL SYSTEM USING OXIDATION REDUCTION POTENTIAL SENSING H.E.R.C. PRODUCTS INCORPORATED (US) 1995-02-09 WO disclosed
US-5342510-A Automatically controlling scale H.E.R.C. INCORPORATED (US) 1994-08-30 US disclosed
US-5332494-A Amine or ammonium salt of mineral acid H.E.R.C. INCORPORATED (US) 1994-07-26 US disclosed
US-3968099-A Process for the preparation of azo dyestuffs containing cyano groups BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 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 (4 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-20140221374-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF TP53 75/4885JAK3 411/4885POLB 1383/4885
US-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN TP53 130/4885JAK3 26/4885POLB 3881/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN TP53 133/4885JAK3 24/4885POLB 3783/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN TP53 133/4885JAK3 24/4885POLB 3783/4885

“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.