SCHEMBL668320

SCHEMBL668320

CNCc1ccccc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.33
HTR2A P28223 3/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
SLC6A2 P23975 8/20 0.32
SLC6A3 Q01959 7/20 0.32
LTA4H P09960 1/20 0.32
KCNH2 Q12809 3/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
IFNAR1 P17181 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 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
SCHEMBL580069 0.82 LIPG (0.33) LIPG
SCHEMBL3229542 0.81 ALDH1A1 (0.33) ALDH1A1LIPG
SCHEMBL14645439 0.79 KDM4E (0.37) ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL9274789 0.78 TSHR (0.36) SLC6A4HTR2ASLC6A2SLC6A3CYP3A4
SCHEMBL3521758 0.77 KDM4E (0.34) ALDH1A1POLBKDM4EMAPT
SCHEMBL5899432 0.76 TSHR (0.36) ALDH1A1POLBKDM4ECYP3A4MAPT
SCHEMBL30949224 0.75 LIPG (0.50) SLC6A4HTR2AMCL1ALDH1A1PKM
SCHEMBL30949223 0.75 LIPG (0.50) SLC6A4HTR2AMCL1ALDH1A1PKM
SCHEMBL902105 0.75 LIPG (0.50) SLC6A4HTR2AMCL1ALDH1A1PKM
SCHEMBL22684752 0.74 ENPP2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48547-E1 Aminopyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS INC. (US) 2021-05-11 US disclosed
EP-2608672-B1 AMINOPYRIDINE- AND AMINOPYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC (US) 2020-12-16 EP disclosed
US-RE47740-E1 Aminopyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS INC. (US) 2019-11-26 US disclosed
US-8993541-B2 Aminopyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-31 US disclosed
US-20140256678-A1 Aminopyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-09-11 US disclosed
US-8779149-B2 Aminopyridine- and aminopyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-15 US disclosed
EP-2608672-A1 AMINOPYRIDINE- AND AMINOPYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2013-07-03 EP disclosed
WO-2012027289-A1 AMINOPYRIDINE- AND AMINOPYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC. (US) 2012-03-01 WO disclosed
US-20120046243-A1 Aminopyridine- and Aminopyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS INC. (US) 2012-02-23 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 (2 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-20140256678-A1 Aminopyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR5, CXCR3 SLC6A4 3684/4885HTR2A 982/4885MCL1 796/4885
US-20120046243-A1 Aminopyridine- and Aminopyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR5, CXCR3 SLC6A4 2997/4885HTR2A 599/4885MCL1 1198/4885

“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.