SCHEMBL2643071

SCHEMBL2643071

CC(N)c1ccc([O])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
PDE2A O00408 1/20 0.45
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 3/20 0.39
CIT O14578 2/20 0.33
CNR1 P21554 1/20 0.33
TYR P14679 1/20 0.32
RECQL P46063 4/20 0.31
TDP1 Q9NUW8 4/20 0.31
KDM4E B2RXH2 4/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 3/20 0.31
HIF1A Q16665 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL1314596 0.85 ADRB2 (0.72) ADRB2PDE2AROCK2ROCK1CIT
SCHEMBL17540834 0.77 ADRB2 (0.70) ADRB2PDE2ATYRKDM4EMAPT
SCHEMBL348071 0.77 TYR (0.52) TYRKDM4EMAPTLMNAHIF1A
SCHEMBL17540836 0.77 ADRB2 (0.70) ADRB2PDE2ATYRKDM4EMAPT
SCHEMBL2187080 0.77 ADRB2 (0.70) ADRB2PDE2ATYRKDM4EMAPT
Hydrochloric Acid SCHEMBL28673897 0.74 ADRB2 (0.67) ADRB2PDE2AROCK2ROCK1TYR
SCHEMBL342044 0.74 ADRB2 (0.59) ADRB2PDE2AROCK2ROCK1TDP1
Hydrochloric Acid SCHEMBL1923125 0.74 ADRB2 (0.67) ADRB2PDE2AROCK2ROCK1TYR
SCHEMBL248672 0.74 ADRB2 (0.59) ADRB2PDE2ATDP1LMNA
SCHEMBL334558 0.74 ADRB2 (0.59) ADRB2PDE2ATDP1LMNA

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-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US claimed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP claimed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US claimed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO claimed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 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 (7 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ADRB2 4480/4885PDE2A 1888/4885ROCK2 4514/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX ADRB2 4594/4885PDE2A 1082/4885ROCK2 4409/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ADRB2 1710/4885PDE2A 807/4885ROCK2 3300/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ADRB2 4480/4885PDE2A 1888/4885ROCK2 4514/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 ADRB2 1744/4885PDE2A 829/4885ROCK2 3307/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 ADRB2 1710/4885PDE2A 807/4885ROCK2 3300/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX ADRB2 4480/4885PDE2A 1888/4885ROCK2 4514/4885

“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.